CAS: 98-86-2 MDL Number: MFCD00008724 InChI Key: KWOLFJPFCHCOCG-UHFFFAOYSA-N Synonym: acetylbenzol, 1-phenylethan-1-one, acetophenon, benzoyl methide, hypnone, ethanone, 1-phenyl, phenyl methyl ketone, acetylbenzene, methyl phenyl ketone, acetophenone PubChem CID: 7410 ChEBI: CHEBI:27632 IUPAC Name: 1-phenylethanone SMILES: CC(=O)C1=CC=CC=C1

CAS: 580-20-1 Molecular Formula: C₉H₇NO Molecular Weight (g/mol): 145.16 MDL Number: MFCD00016730 InChI Key: QUUFTOGCVYWGNK-UHFFFAOYSA-N Synonym: 7hydroxyquinoline, quinolin-1-ium-7-olate, xcrppapdrubkrj-uhfffaoysa-n, d2g6yuk7zj, ccris 4332, 7-chinolinol, unii-d2g6yuk7zj, 7-quinolinol, quinolin-7-ol, 7-hydroxyquinoline PubChem CID: 11378 IUPAC Name: 1H-quinolin-7-one SMILES: C1=CNC2=CC(=O)C=CC2=C1

CAS: 106-51-4 Molecular Formula: C6H4O2 Molecular Weight (g/mol): 108.096 MDL Number: MFCD00001591 InChI Key: AZQWKYJCGOJGHM-UHFFFAOYSA-N Synonym: 1,4-benzoquine, para-quinone, cyclohexadienedione, 2,5-cyclohexadiene-1,4-dione, chinone, p-quinone, 1,4-benzoquinone, quinone, benzoquinone, p-benzoquinone PubChem CID: 4650 ChEBI: CHEBI:16509 IUPAC Name: cyclohexa-2,5-diene-1,4-dione SMILES: C1=CC(=O)C=CC1=O

CAS: 30071-93-3 Molecular Formula: C10H6F6O Molecular Weight (g/mol): 256.15 MDL Number: MFCD00009910 InChI Key: MCYCSIKSZLARBD-UHFFFAOYSA-N Synonym: 3',5'-bis-trifluoromethylacetophenone, 3,5-ditrifluoromethylacetophenone, 1-3,5-di trifluoromethyl phenyl ethan-1-one, mbt-ac, 1-3,5-bis trifluoromethyl phenyl ethan-1-one, 1-3,5-bis trifluoromethyl phenyl ethanone, 3,5-bis trifluoromethyl acetophenone, 3',5'-bis trifluoromethyl acetophenone PubChem CID: 121616 SMILES: CC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

CAS: 1129-30-2 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.18 MDL Number: MFCD00006304 InChI Key: BEZVGIHGZPLGBL-UHFFFAOYSA-N Synonym: pubchem3144, 2,6diacetylpyridine, 1-6-acetylpyridin-2-yl ethan-1-one, ethanone, 1,1'-2,6-pyridinediyl bis, 1-6-acetyl-pyridin-2-yl-ethanone, 2,6-diacetyl pyridine, pyridine-2,6-diacetyl, 1-6-acetylpyridin-2-yl ethanone, 1,1'-pyridine-2,6-diyl diethanone, 2,6-diacetylpyridine PubChem CID: 70790 IUPAC Name: 1-(6-acetylpyridin-2-yl)ethanone SMILES: CC(=O)C1=CC=CC(=N1)C(C)=O

CAS: 472-61-7 Molecular Formula: C40H52O4 Molecular Weight (g/mol): 596.85 MDL Number: MFCD00672621 InChI Key: MQZIGYBFDRPAKN-UWFIBFSHSA-N Synonym: trans-astaxanthin, lucantin pink, carophyll pink, bioastin, natupink, all-trans-astaxanthin, 3s,3's-astaxanthin, astaxanthine, ovoester, astaxanthin PubChem CID: 5281224 ChEBI: CHEBI:40968 IUPAC Name: (6S)-6-hydroxy-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethyl-3-oxocyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-2,4,4-trimethylcyclohex-2-en-1-one SMILES: C\C(\C=C\C=C(/C)\C=C\C1=C(C)C(=O)[C@@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)C(=O)[C@@H](O)CC1(C)C

CAS: 74457-86-6 Molecular Formula: C9H9FO2 Molecular Weight (g/mol): 168.17 MDL Number: MFCD00042290 InChI Key: PIRRWUMTIBFCCW-UHFFFAOYSA-N Synonym: zlchem 344, ethanone, 1-2-fluoro-4-methoxyphenyl, 2-fluoro-4-methoxy-acetophenone, 2'-fluor-4'-methoxyacetophenone, 1-acetyl-2-fluoro-4-methoxybenzene, 4-acetyl-3-fluoroanisole, 1-2-fluoro-4-methoxyphenyl ethan-1-one, 1-2-fluoro-4-methoxyphenyl ethanone, 2-fluoro-4-methoxyacetophenone, 2'-fluoro-4'-methoxyacetophenone PubChem CID: 592821 IUPAC Name: 1-(2-fluoro-4-methoxyphenyl)ethanone SMILES: COC1=CC=C(C(C)=O)C(F)=C1

CAS: 94-67-7 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00002120 InChI Key: GFCNBJDXQMZOOC-WAYWQWQTSA-N Synonym: salicylideneaminoalcohol, 2-1e-hydroxyimino methyl phenol, orihzizptztncu-vmpitwqzsa-n, orihzizptztncu-uhfffaoysa-n, e-2-hydroxybenzaldehyde oxime, 6-hydroxyamino methylidene cyclohexa-2,4-dien-1-one, 2-hydroxyimino methyl phenol, salicylaldehyde oxime, 2-hydroxybenzaldehyde oxime, salicylaldoxime PubChem CID: 6740756 IUPAC Name: 6-[(hydroxyamino)methylidene]cyclohexa-2,4-dien-1-one SMILES: ON\C=C1\C=CC=CC1=O

CAS: 40188-45-2 Molecular Formula: C12H15NO3 Molecular Weight (g/mol): 221.26 MDL Number: MFCD00798556 InChI Key: FGWZEOPEZISTTR-UHFFFAOYSA-N Synonym: n-3-acetyl-4-hydroxyphenyl butanamid, acebutolol impurity c, 5'-butyramido-2'-hydroxyacetophenone, butanamide, n-3-acetyl-4-hydroxyphenyl, 3'-acetyl-4'-hydroxybutyranilide, unii-14qjb65r4v, ac-hophe-oh, n-3-acetyl-4-hydroxyphenyl butyramide, n-3-acetyl-4-hydroxyphenyl butanamide, 2-acetyl-4-butyramidophenol PubChem CID: 736331 IUPAC Name: N-(3-acetyl-4-hydroxyphenyl)butanamide SMILES: CCCC(=O)NC1=CC=C(O)C(=C1)C(C)=O

CAS: 149105-11-3 Molecular Formula: C9H7F3O2 Molecular Weight (g/mol): 204.148 MDL Number: MFCD01091005 InChI Key: HKRUXZJKSFFSGF-UHFFFAOYSA-N Synonym: 5-acetyl-2-hydroxybenzotrifluoride, intermediates-zcf02143, acmc-1bxyq, ethanone,1-4-hydroxy-3-trifluoromethyl phenyl, 1-4-hydroxy-3-trifluoromethylphenyl ethanone, 1-4-hydroxy-3-trifluoromethyl phenyl ethan-1-one, 4'-hydroxy-3'-trifluoromethyl acetophenone, 1-4-hydroxy-3-trifluoromethyl phenyl ethanone, 4-hydroxy-3-trifluoromethyl acetophenone PubChem CID: 2775109 IUPAC Name: 1-[4-hydroxy-3-(trifluoromethyl)phenyl]ethanone SMILES: CC(=O)C1=CC(=C(C=C1)O)C(F)(F)F

CAS: 121-71-1 Molecular Formula: C₈H₈O₂ Molecular Weight (g/mol): 136.15 MDL Number: MFCD00002298 InChI Key: LUJMEECXHPYQOF-UHFFFAOYSA-N Synonym: 3-acetophenol, 3-hydroxy acetophenone, m-acetylphenol, ethanone, 1-3-hydroxyphenyl, 1-3-hydroxyphenyl ethan-1-one, 3-acetylphenol, m-hydroxyacetophenone, 1-3-hydroxyphenyl ethanone, 3-hydroxyacetophenone, 3'-hydroxyacetophenone PubChem CID: 8487 IUPAC Name: 1-(3-hydroxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC=C1)O

CAS: 1226-42-2 Molecular Formula: C16H14O4 Molecular Weight (g/mol): 270.284 MDL Number: MFCD00008405 InChI Key: YNANGXWUZWWFKX-UHFFFAOYSA-N Synonym: 1,2-bis 4-methoxyphenyl-1,2-ethanedione, 1,2-ethanedione, 1,2-bis 4-methoxyphenyl, p,p'-dimethoxybenzil, di-p-anisoyl, ethanedione, bis 4-methoxyphenyl, bis 4-methoxyphenyl ethanedione, 1,2-bis 4-methoxyphenyl ethane-1,2-dione, p-anisil, anisil, 4,4'-dimethoxybenzil PubChem CID: 71043 IUPAC Name: 1,2-bis(4-methoxyphenyl)ethane-1,2-dione SMILES: COC1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)OC

CAS: 42472-69-5 Molecular Formula: C10H8O Molecular Weight (g/mol): 144.17 MDL Number: MFCD04974025 InChI Key: WHFPFLKZXFBCSO-UHFFFAOYSA-N Synonym: ethanone,1-4-ethynylphenyl, 1-4-ethynylphenyl-ethanone, 4-acetylphenyl acetylene, 4-acetylphenylethyne, 1-4-ethynylphenyl ethan-1-one, 4'-ethynylacetophenone, ethanone, 1-4-ethynylphenyl, 4-acetylphenylacetylene, 1-4-ethynyl-phenyl-ethanone, 1-4-ethynylphenyl ethanone PubChem CID: 5123626 IUPAC Name: 1-(4-ethynylphenyl)ethanone SMILES: CC(=O)C1=CC=C(C=C1)C#C

CAS: 5398-11-8 MDL Number: MFCD00023099

CAS: 13670-99-0 Molecular Formula: C8H6F2O Molecular Weight (g/mol): 156.13 MDL Number: MFCD00000328 InChI Key: VGIIILXIQLXVLC-UHFFFAOYSA-N Synonym: intermediates-zcf02054, pubchem4218, fr cf bv1, 1-acetyl-2,6-difluorobenzene, acetophenone, 2',6'-difluoro, ethanone, 1-2,6-difluorophenyl, 1-2,6-difluorophenyl ethan-1-one, 2,6-difluoroacetophenone, 1-2,6-difluorophenyl ethanone, 2',6'-difluoroacetophenone PubChem CID: 83643 SMILES: CC(=O)C1=C(F)C=CC=C1F

CAS: 518-82-1 Molecular Formula: C₁₅H₁₀O₅ Molecular Weight (g/mol): 270.23 MDL Number: MFCD00001207 InChI Key: RHMXXJGYXNZAPX-UHFFFAOYSA-N Synonym: 1,3,8-trihydroxy-6-methyl-9,10-anthraquinone, persian berry lake, archin, 3-methyl-1,6,8-trihydroxyanthraquinone, frangulic acid, rheum emodin, frangula emodin, emodol, schuttgelb, emodin PubChem CID: 3220 ChEBI: CHEBI:42223 IUPAC Name: 1,3,8-trihydroxy-6-methylanthracene-9,10-dione SMILES: CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O

CAS: 154259-25-3 Molecular Formula: C9H6BrF3O Molecular Weight (g/mol): 267.045 MDL Number: MFCD11847339 InChI Key: BVCLQCAMSFVBFX-UHFFFAOYSA-N Synonym: 1-3-bromo-5-trifluoromethyl phenyl ethan-1-one, 1-3-bromo-5-trifluoromethyl-phenyl ethanone, 1-3-bromo-5-trifluoromethyl phenyl ethanone, 3'-bromo-5'-trifluoromethyl acetophenone PubChem CID: 21852668 IUPAC Name: 1-[3-bromo-5-(trifluoromethyl)phenyl]ethanone SMILES: CC(=O)C1=CC(=CC(=C1)Br)C(F)(F)F

CAS: 175135-93-0 Molecular Formula: C10H10BrClO Molecular Weight (g/mol): 261.543 MDL Number: MFCD00067862 InChI Key: RGMFWCVOMGKIJM-UHFFFAOYSA-N Synonym: 2-bromanyl-1-3-chloranyl-4-methyl-phenyl propan-1-one, 2-bromo-1-3-chloro-4-methylphenyl-1-propanone, 2-bromo-3'-chloro-4'methyl propiophenone, 1-propanone,2-bromo-1-3-chloro-4-methylphenyl, 2-bromo-3'-chloro-4'-methylpropiophenone, 2-bromo-1-3-chloro-4-methylphenyl propan-1-one PubChem CID: 2774950 IUPAC Name: 2-bromo-1-(3-chloro-4-methylphenyl)propan-1-one SMILES: CC1=C(C=C(C=C1)C(=O)C(C)Br)Cl

CAS: 814-75-5 Molecular Formula: C₄H₇BrO Molecular Weight (g/mol): 151 MDL Number: MFCD00013538 InChI Key: BNBOUFHCTIFWHN-UHFFFAOYSA-N Synonym: 3-bromo-butan-2-on, 2-bromo-3-oxobutane, 3-bromo-2-butanon, 3-bromobutanone, 2-bromobutan-2-one, 1-bromoethyl methyl ketone, 3-bromo-butan-2-one, 2-bromo-3-butanone, 2-butanone, 3-bromo, 3-bromo-2-butanone PubChem CID: 13142 IUPAC Name: 3-bromobutan-2-one SMILES: CC(C(=O)C)Br

CAS: 4594-78-9 Molecular Formula: C9H13NO Molecular Weight (g/mol): 151.21 MDL Number: MFCD00013797 InChI Key: SPTVCXKSSRBTMN-UHFFFAOYNA-N Synonym: 2-oxocyclohexanepropiononitrile, 2-b-cyanoethyl cyclohexanone, 2-.beta.-cyanoethyl cyclohexanone, 2-oxocyclohexanepropionitrile, cyclohexanepropionitrile, 2-oxo, 2-oxo-1-cyclohexanepropionitrile, 2-2-cyanethyl cyclohexanone, cyclohexanepropanenitrile, 2-oxo, 2-2-cyanoethyl cyclohexanone, 3-2-oxocyclohexyl propanenitrile PubChem CID: 96223 IUPAC Name: 3-(2-oxocyclohexyl)propanenitrile SMILES: O=C1CCCCC1CCC#N

CAS: 21306-21-8 Molecular Formula: C₆Cl₆O Molecular Weight (g/mol): 300.77 MDL Number: MFCD00019431 InChI Key: BBLJNWQYENOWPH-UHFFFAOYSA-N Synonym: 2,4-cyclohexadien-1-one, 2,3,4,5,6,6-hexachloro, 2,4-cyclohexadien-1-one,2,3,4,5,6,6-hexachloro, hexachloro-2,4-cyclohexadiene-1-one, hexachloro-2,4-cyclohexadienone, hexachloro-c6one, hexachlorocyclohexa-2,4-dien-1-one, 2,3,4,5,6,6-hexachloro-2,4-cyclohexadienone, 2,3,4,5,6,6-hexachlorocyclohexa-2,4-dienone, 2,3,4,5,6,6-hexachloro-2,4-cyclohexadien-1-one PubChem CID: 152418 IUPAC Name: 2,3,4,5,6,6-hexachlorocyclohexa-2,4-dien-1-one SMILES: C1(=C(C(=O)C(C(=C1Cl)Cl)(Cl)Cl)Cl)Cl

CAS: 88-15-3 Molecular Formula: C6H6OS Molecular Weight (g/mol): 126.173 MDL Number: MFCD00005442 InChI Key: WYJOVVXUZNRJQY-UHFFFAOYSA-N Synonym: 2-thienyl methyl ketone, ketone, methyl 2-thienyl, 2-acetyl thiophene, ethanone, 1-2-thienyl, 2-acetothiophene, 2-acetothienone, methyl 2-thienyl ketone, 1-thiophen-2-yl-ethanone, 1-2-thienyl ethanone, 2-acetylthiophene PubChem CID: 6920 IUPAC Name: 1-thiophen-2-ylethanone SMILES: CC(=O)C1=CC=CS1

CAS: 6781-42-6 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00008740 InChI Key: VCHOFVSNWYPAEF-UHFFFAOYSA-N Synonym: m-diacetyl benzene, 1-3-acetylphenyl ethan-1-one, 1-3-acetylphenyl ethanone, m-acetyl acetophenone, m-acetylacetophenone, benzene-1,3-bis acetyl, m-diacetylbenzene, ethanone, 1,1'-1,3-phenylene bis, 1,1'-1,3-phenylene diethanone, 1,3-diacetylbenzene PubChem CID: 23229 SMILES: CC(=O)C1=CC(=CC=C1)C(C)=O

CAS: 103404-75-7 Molecular Formula: C11H7N2NaO3S2 Molecular Weight (g/mol): 302.298 MDL Number: MFCD11865368 InChI Key: BZNVUYVALNTPBG-QWLWRJJTSA-M Synonym: Firefly Luciferin monosodium salt monohydrate PubChem CID: 133109097 IUPAC Name: sodium;(2E,4R)-2-(6-oxo-1,3-benzothiazol-2-ylidene)-1,3-thiazolidine-4-carboxylate SMILES: C1C(NC(=C2N=C3C=CC(=O)C=C3S2)S1)C(=O)[O-].[Na+]

CAS: 21667-62-9 Molecular Formula: C9H6ClNO Molecular Weight (g/mol): 179.60 MDL Number: MFCD00067891 InChI Key: IUDFNNHFARLIPF-UHFFFAOYSA-N Synonym: maybridge1_004670, acmc-1cqmb, m-chlorophenacyl cyanide, pubchem12046, beta-ketonitrile 5b, 3-3-chlorophenyl-3-oxo-propanenitrile, 3-chlorobenzoyl acetonitrile, 3-chlorophenacylcyanide, 3-3-chlorophenyl-3-oxopropanenitrile, 3-chlorobenzoylacetonitrile PubChem CID: 140855 IUPAC Name: 3-(3-chlorophenyl)-3-oxopropanenitrile SMILES: ClC1=CC=CC(=C1)C(=O)CC#N

CAS: 30186-18-6 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 MDL Number: MFCD03428533 InChI Key: LQCMMXGKEGWUIM-UHFFFAOYSA-N Synonym: 1-4-bromo-2-hydroxy-phenyl-ethanone, 1-4-bromo-2-hydroxy-phenyl ethanone, 2-acetyl-5-bromophenol, ethanone, 1-4-bromo-2-hydroxyphenyl, acetophenone,2-hydroxy-4-bromo, 1-4-bromo-2-hydroxyphenyl ethan-1-one, 4-bromo-2-hydroxyacetophenone, 4'-bromo-2'-hydroxyacetophenone, 1-4-bromo-2-hydroxyphenyl ethanone PubChem CID: 10727403 IUPAC Name: 1-(4-bromo-2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=C(O)C=C(Br)C=C1

CAS: 1072-82-8 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.128 MDL Number: MFCD00067759 InChI Key: KHHSXHXUQVNBGA-UHFFFAOYSA-N Synonym: 3-acetyl-1h-pyrroline, pubchem22508, 3-acetyl pyrrole, 3-acetyl-1h-pyrrole, 1-1h-pyrrol-3-yl-ethanone, ethanone, 1-1h-pyrrol-3-yl, 1-1h-pyrrol-3-yl ethan-1-one, 1-1h-pyrrol-3-yl ethanone, 3-acetylpyrrole PubChem CID: 2737793 IUPAC Name: 1-(1H-pyrrol-3-yl)ethanone SMILES: CC(=O)C1=CNC=C1

CAS: 431-67-4 Molecular Formula: C3HBr2F3O Molecular Weight (g/mol): 269.843 MDL Number: MFCD00041362 InChI Key: HEPPAPZASXFWTB-UHFFFAOYSA-N Synonym: 1,1-di-bromo-3,3,3-trifluoroacetone, l,l-dibromo-3,3,3-trifluoroacetone, ksc237m8t, 3,3-dibromotrifluoroacetone, pubchem12627, dibromotrifluoroaceton, 2-propanone, 3,3-dibromo-1,1,1-trifluoro, 3,3-dibromo-1,1,1-trifluoro-propan-2-one, 3,3-dibromo-1,1,1-trifluoroacetone, 1,1-dibromo-3,3,3-trifluoroacetone PubChem CID: 550523 IUPAC Name: 3,3-dibromo-1,1,1-trifluoropropan-2-one SMILES: C(C(=O)C(F)(F)F)(Br)Br