CAS RN: 126077-63-2
CAS Name: acetic acid (2-acetamido-3-acetyloxy-6-methoxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)methyl ester
OPENEYE Name: (2-acetamido-3-acetoxy-6-methoxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)methyl acetate
IUPAC Name: (2-acetamido-3-acetyloxy-6-methoxy-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl)methyl acetate
SYSTEMATIC NAME: [2-acetamido-3-acetyloxy-6-methoxy-7-methyl-5,8-bis(oxidanylidene)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-4-yl]methyl ethanoate
MOLECULAR FORMULA: C20H22N2O8
MOLECULAR WEIGHT: 418.39728
SMILES: CC1=C(C(=O)C2=C(C1=O)N3CC(C(C3=C2COC(=O)C)OC(=O)C)NC(=O)C)OC
Structure:
CAS RN: 14769-01-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H26N4O5
MOLECULAR WEIGHT: 390.43354
SMILES: CCCCNC1=C(C(=O)C2=C(C1=O)C(C3(N2CC4C3N4)OC)COC(=O)N)C
Structure:
CAS RN: 41411-01-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H22N4O5
MOLECULAR WEIGHT: 362.38038
SMILES: CCNC1=C(C(=O)C2=C(C1=O)C(C3(N2CC4C3N4)OC)COC(=O)N)C
Structure:
CAS RN: 4117-84-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H22N4O5
MOLECULAR WEIGHT: 362.38038
SMILES: CCNC1=C(C(=O)C2=C(C1=O)C(C3(N2CC4C3N4)OC)COC(=O)N)C
Structure:
CAS RN: 10448-96-1
CAS Name: 3-hydroxy-7,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
OPENEYE Name: 3-hydroxy-7,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
IUPAC Name: 3-hydroxy-7,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
SYSTEMATIC NAME: 7,13-dimethyl-3-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
MOLECULAR FORMULA: C19H24O2
MOLECULAR WEIGHT: 284.39266
SMILES: CC1CC2=C(C=CC(=C2)O)C3C1C4CCC(=O)C4(CC3)C
Structure:
CAS RN: 89159-60-4
CAS Name: 3,4,5,6-tetrachlorobenzene-1,2-diamine
OPENEYE Name: 3,4,5,6-tetrachlorobenzene-1,2-diamine
IUPAC Name: 3,4,5,6-tetrachlorobenzene-1,2-diamine
SYSTEMATIC NAME: 3,4,5,6-tetrakis(chloranyl)benzene-1,2-diamine
MOLECULAR FORMULA: C6H4Cl4N2
MOLECULAR WEIGHT: 245.92136
SMILES: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)N)N
Structure:
CAS RN: 19310-63-5
CAS Name: 2-cyano-3-(3,4-dimethoxyphenyl)-2-propenamide
OPENEYE Name: 2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enamide
IUPAC Name: 2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enamide
SYSTEMATIC NAME: 2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enamide
MOLECULAR FORMULA: C12H12N2O3
MOLECULAR WEIGHT: 232.23528
SMILES: COC1=C(C=C(C=C1)C=C(C#N)C(=O)N)OC
Structure:
CAS RN: 14414-50-7
CAS Name: acetic acid [10,13-dimethyl-17-(6-oxo-3-pyranyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [10,13-dimethyl-17-(6-oxopyran-3-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
IUPAC Name: [10,13-dimethyl-17-(6-oxopyran-3-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
SYSTEMATIC NAME: [10,13-dimethyl-17-(6-oxidanylidenepyran-3-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] ethanoate
MOLECULAR FORMULA: C26H36O4
MOLECULAR WEIGHT: 412.56164
SMILES: CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3CCC4C5=COC(=O)C=C5)C)C
Structure:
CAS RN: 639-47-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H21NO3
MOLECULAR WEIGHT: 299.36424
SMILES: CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)OC
Structure:
CAS RN: 4269-20-9
CAS Name: 9-oxo-4-fluorenecarbonitrile
OPENEYE Name: 9-oxofluorene-4-carbonitrile
IUPAC Name: 9-oxofluorene-4-carbonitrile
SYSTEMATIC NAME: 9-oxidanylidenefluorene-4-carbonitrile
MOLECULAR FORMULA: C14H7NO
MOLECULAR WEIGHT: 205.21148
SMILES: C1=CC=C2C(=C1)C3=C(C=CC=C3C2=O)C#N
Structure:
CAS RN: 19768-73-1
CAS Name: 3-(2-amino-4-methyl-6-oxo-1-pyrimidinyl)propanoic acid
OPENEYE Name: 3-(2-amino-4-methyl-6-oxo-pyrimidin-1-yl)propanoic acid
IUPAC Name: 3-(2-amino-4-methyl-6-oxopyrimidin-1-yl)propanoic acid
SYSTEMATIC NAME: 3-(2-azanyl-4-methyl-6-oxidanylidene-pyrimidin-1-yl)propanoic acid
MOLECULAR FORMULA: C8H11N3O3
MOLECULAR WEIGHT: 197.19124
SMILES: CC1=CC(=O)N(C(=N1)N)CCC(=O)O
Structure:
CAS RN: 93012-66-9
CAS Name: 3-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-1-one
OPENEYE Name: 3-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-1-one
IUPAC Name: 3-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-1-one
SYSTEMATIC NAME: 3-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-1-one
MOLECULAR FORMULA: C8H10N2O
MOLECULAR WEIGHT: 150.1778
SMILES: CC1=NC(=O)N2CCCC2=C1
Structure:
CAS RN: 14938-28-4
CAS Name: cyclooctane-1,5-dione
OPENEYE Name: cyclooctane-1,5-dione
IUPAC Name: cyclooctane-1,5-dione
SYSTEMATIC NAME: cyclooctane-1,5-dione
MOLECULAR FORMULA: C8H12O2
MOLECULAR WEIGHT: 140.17968
SMILES: C1CC(=O)CCCC(=O)C1
Structure:
CAS RN: 149396-89-4
CAS Name: 1,6-diazecane-2,7-dione
OPENEYE Name: 1,6-diazecane-2,7-dione
IUPAC Name: 1,6-diazecane-2,7-dione
SYSTEMATIC NAME: 1,6-diazecane-2,7-dione
MOLECULAR FORMULA: C8H14N2O2
MOLECULAR WEIGHT: 170.20896
SMILES: C1CC(=O)NCCCC(=O)NC1
Structure:
CAS RN: 149396-91-8
CAS Name: 1-(3-hydroxypropyl)piperidine-2,6-dione
OPENEYE Name: 1-(3-hydroxypropyl)piperidine-2,6-dione
IUPAC Name: 1-(3-hydroxypropyl)piperidine-2,6-dione
SYSTEMATIC NAME: 1-(3-oxidanylpropyl)piperidine-2,6-dione
MOLECULAR FORMULA: C8H13NO3
MOLECULAR WEIGHT: 171.19372
SMILES: C1CC(=O)N(C(=O)C1)CCCO
Structure:
CAS RN: 25938-34-5
CAS Name: 2-(2,3-dihydro-1H-indol-7-yl)acetic acid
OPENEYE Name: 2-indolin-7-ylacetic acid
IUPAC Name: 2-(2,3-dihydro-1H-indol-7-yl)acetic acid
SYSTEMATIC NAME: 2-(2,3-dihydro-1H-indol-7-yl)ethanoic acid
MOLECULAR FORMULA: C10H11NO2
MOLECULAR WEIGHT: 177.19984
SMILES: C1CNC2=C1C=CC=C2CC(=O)O
Structure:
CAS RN: 505-72-6
CAS Name: 3-(carboxymethylamino)propanoic acid
OPENEYE Name: 3-(carboxymethylamino)propanoic acid
IUPAC Name: 3-(carboxymethylamino)propanoic acid
SYSTEMATIC NAME: 3-(2-hydroxy-2-oxoethylamino)propanoic acid
MOLECULAR FORMULA: C5H9NO4
MOLECULAR WEIGHT: 147.12926
SMILES: C(CNCC(=O)O)C(=O)O
Structure:
CAS RN: 50269-95-9
CAS Name: 1H-pyrrole-2-carbohydrazide
OPENEYE Name: 1H-pyrrole-2-carbohydrazide
IUPAC Name: 1H-pyrrole-2-carbohydrazide
SYSTEMATIC NAME: 1H-pyrrole-2-carbohydrazide
MOLECULAR FORMULA: C5H7N3O
MOLECULAR WEIGHT: 125.12858
SMILES: C1=CNC(=C1)C(=O)NN
Structure:
CAS RN: 21091-98-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H56N2O2
MOLECULAR WEIGHT: 572.86344
SMILES: CC12CCC3C(C1CCC2O)CCC4C3(CC5=C(C4)N=C6CC7(C(CCC8C7CCC9(C8CCC9O)C)CC6=N5)C)C
Structure:
CAS RN: 26863-63-8
CAS Name: 2-chloro-1-(2-isocyanatophenyl)-4-nitrobenzene
OPENEYE Name: 2-chloro-1-(2-isocyanatophenyl)-4-nitro-benzene
IUPAC Name: 2-chloro-1-(2-isocyanatophenyl)-4-nitrobenzene
SYSTEMATIC NAME: 2-chloranyl-1-(2-isocyanatophenyl)-4-nitro-benzene
MOLECULAR FORMULA: C13H7ClN2O3
MOLECULAR WEIGHT: 274.65928
SMILES: C1=CC=C(C(=C1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)N=C=O
Structure:
CAS RN: 26449-55-8
CAS Name: 1,2-bis(7-fluoro-9H-fluoren-2-yl)hydrazine
OPENEYE Name: 1,2-bis(7-fluoro-9H-fluoren-2-yl)hydrazine
IUPAC Name: 1,2-bis(7-fluoro-9H-fluoren-2-yl)hydrazine
SYSTEMATIC NAME: 1,2-bis(7-fluoranyl-9H-fluoren-2-yl)diazane
MOLECULAR FORMULA: C26H18F2N2
MOLECULAR WEIGHT: 396.431326
SMILES: C1C2=C(C=CC(=C2)NNC3=CC4=C(C=C3)C5=C(C4)C=C(C=C5)F)C6=C1C=C(C=C6)F
Structure:
CAS RN: 51591-37-8
CAS Name: 1,5-dimethyl-4-nitro-3-pyrazolecarbonitrile
OPENEYE Name: 1,5-dimethyl-4-nitro-pyrazole-3-carbonitrile
IUPAC Name: 1,5-dimethyl-4-nitropyrazole-3-carbonitrile
SYSTEMATIC NAME: 1,5-dimethyl-4-nitro-pyrazole-3-carbonitrile
MOLECULAR FORMULA: C6H6N4O2
MOLECULAR WEIGHT: 166.13744
SMILES: CC1=C(C(=NN1C)C#N)[N+](=O)[O-]
Structure:
CAS RN: 33676-42-5
CAS Name: 1-(1,3-benzodioxol-5-yl)-1-cyclopropanecarbonitrile
OPENEYE Name: 1-(1,3-benzodioxol-5-yl)cyclopropanecarbonitrile
IUPAC Name: 1-(1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile
MOLECULAR FORMULA: C11H9NO2
MOLECULAR WEIGHT: 187.19466
SMILES: C1CC1(C#N)C2=CC3=C(C=C2)OCO3
Structure:
CAS RN: 34919-87-4
CAS Name: 4-methyl-4-(5-phenyl-3-isoxazolyl)-2-pentanone
OPENEYE Name: 4-methyl-4-(5-phenylisoxazol-3-yl)pentan-2-one
IUPAC Name: 4-methyl-4-(5-phenyl-1,2-oxazol-3-yl)pentan-2-one
SYSTEMATIC NAME: 4-methyl-4-(5-phenyl-1,2-oxazol-3-yl)pentan-2-one
MOLECULAR FORMULA: C15H17NO2
MOLECULAR WEIGHT: 243.30098
SMILES: CC(=O)CC(C)(C)C1=NOC(=C1)C2=CC=CC=C2
Structure:
CAS RN: 20904-18-1
CAS Name: 1-(3,4-dimethoxyphenyl)-1-cyclopropanecarbonitrile
OPENEYE Name: 1-(3,4-dimethoxyphenyl)cyclopropanecarbonitrile
IUPAC Name: 1-(3,4-dimethoxyphenyl)cyclopropane-1-carbonitrile
SYSTEMATIC NAME: 1-(3,4-dimethoxyphenyl)cyclopropane-1-carbonitrile
MOLECULAR FORMULA: C12H13NO2
MOLECULAR WEIGHT: 203.23712
SMILES: COC1=C(C=C(C=C1)C2(CC2)C#N)OC
Structure:
CAS RN: 55589-21-4
CAS Name: 2-hydroxy-1,3-dihydroindene-2-carbonitrile
OPENEYE Name: 2-hydroxyindane-2-carbonitrile
IUPAC Name: 2-hydroxy-1,3-dihydroindene-2-carbonitrile
SYSTEMATIC NAME: 2-oxidanyl-1,3-dihydroindene-2-carbonitrile
MOLECULAR FORMULA: C10H9NO
MOLECULAR WEIGHT: 159.18456
SMILES: C1C2=CC=CC=C2CC1(C#N)O
Structure:
CAS RN: 25886-62-8
CAS Name: 2-[6-(carboxymethyl)-1-cyclohex-3-enyl]acetic acid
OPENEYE Name: 2-[6-(carboxymethyl)cyclohex-3-en-1-yl]acetic acid
IUPAC Name: 2-[6-(carboxymethyl)cyclohex-3-en-1-yl]acetic acid
SYSTEMATIC NAME: 2-[6-(2-hydroxy-2-oxoethyl)cyclohex-3-en-1-yl]ethanoic acid
MOLECULAR FORMULA: C10H14O4
MOLECULAR WEIGHT: 198.21576
SMILES: C1C=CCC(C1CC(=O)O)CC(=O)O
Structure:
CAS RN: 25050-73-1
CAS Name: 2-[6-(carboxymethyl)-1-cyclohex-3-enyl]acetic acid
OPENEYE Name: 2-[6-(carboxymethyl)cyclohex-3-en-1-yl]acetic acid
IUPAC Name: 2-[6-(carboxymethyl)cyclohex-3-en-1-yl]acetic acid
SYSTEMATIC NAME: 2-[6-(2-hydroxy-2-oxoethyl)cyclohex-3-en-1-yl]ethanoic acid
MOLECULAR FORMULA: C10H14O4
MOLECULAR WEIGHT: 198.21576
SMILES: C1C=CCC(C1CC(=O)O)CC(=O)O
Structure:
CAS RN: 260389-82-0
CAS Name: 2-[6-(cyanomethyl)-1-cyclohex-3-enyl]acetonitrile
OPENEYE Name: 2-[6-(cyanomethyl)cyclohex-3-en-1-yl]acetonitrile
IUPAC Name: 2-[6-(cyanomethyl)cyclohex-3-en-1-yl]acetonitrile
SYSTEMATIC NAME: 2-[6-(cyanomethyl)cyclohex-3-en-1-yl]ethanenitrile
MOLECULAR FORMULA: C10H12N2
MOLECULAR WEIGHT: 160.21568
SMILES: C1C=CCC(C1CC#N)CC#N
Structure:
CAS RN: 13070-88-7
CAS Name: 2-(2-oxanyloxy)-1,3-dihydroindene-2-carbonitrile
OPENEYE Name: 2-tetrahydropyran-2-yloxyindane-2-carbonitrile
IUPAC Name: 2-(oxan-2-yloxy)-1,3-dihydroindene-2-carbonitrile
SYSTEMATIC NAME: 2-(oxan-2-yloxy)-1,3-dihydroindene-2-carbonitrile
MOLECULAR FORMULA: C15H17NO2
MOLECULAR WEIGHT: 243.30098
SMILES: C1CCOC(C1)OC2(CC3=CC=CC=C3C2)C#N
Structure:
CAS RN: 13801-50-8
CAS Name: 4-methylbenzenesulfonic acid (1-methyl-2-oxocyclohexyl)methyl ester
OPENEYE Name: (1-methyl-2-oxo-cyclohexyl)methyl 4-methylbenzenesulfonate
IUPAC Name: (1-methyl-2-oxocyclohexyl)methyl 4-methylbenzenesulfonate
SYSTEMATIC NAME: (1-methyl-2-oxidanylidene-cyclohexyl)methyl 4-methylbenzenesulfonate
MOLECULAR FORMULA: C15H20O4S
MOLECULAR WEIGHT: 296.3819
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC2(CCCCC2=O)C
Structure:
CAS RN: 14320-38-8
CAS Name: 1-cyclopent-3-enol
OPENEYE Name: cyclopent-3-en-1-ol
IUPAC Name: cyclopent-3-en-1-ol
SYSTEMATIC NAME: cyclopent-3-en-1-ol
MOLECULAR FORMULA: C5H8O
MOLECULAR WEIGHT: 84.11642
SMILES: C1C=CCC1O
Structure:
CAS RN: 147663-04-5
CAS Name: N-[1-[(2-chlorophenyl)hydrazo]-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-[2-[2-(2-chlorophenyl)hydrazino]-1-methyl-2-oxo-ethyl]carbamate
IUPAC Name: benzyl N-[1-[2-(2-chlorophenyl)hydrazinyl]-1-oxopropan-2-yl]carbamate
SYSTEMATIC NAME: (phenylmethyl) N-[1-[2-(2-chlorophenyl)hydrazinyl]-1-oxidanylidene-propan-2-yl]carbamate
MOLECULAR FORMULA: C17H18ClN3O3
MOLECULAR WEIGHT: 347.79612
SMILES: CC(C(=O)NNC1=CC=CC=C1Cl)NC(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 41245-59-4
CAS Name: 1-fluoro-4-(4-fluoro-3-isothiocyanatophenyl)sulfonyl-2-isothiocyanatobenzene
OPENEYE Name: 1-fluoro-4-(4-fluoro-3-isothiocyanato-phenyl)sulfonyl-2-isothiocyanato-benzene
IUPAC Name: 1-fluoro-4-(4-fluoro-3-isothiocyanatophenyl)sulfonyl-2-isothiocyanatobenzene
SYSTEMATIC NAME: 1-fluoranyl-4-(4-fluoranyl-3-isothiocyanato-phenyl)sulfonyl-2-isothiocyanato-benzene
MOLECULAR FORMULA: C14H6F2N2O2S3
MOLECULAR WEIGHT: 368.401446
SMILES: C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)F)N=C=S)N=C=S)F
Structure:
CAS RN: 41244-64-8
CAS Name: 1-chloro-4-(4-chloro-3-isothiocyanatophenyl)sulfonyl-2-isothiocyanatobenzene
OPENEYE Name: 1-chloro-4-(4-chloro-3-isothiocyanato-phenyl)sulfonyl-2-isothiocyanato-benzene
IUPAC Name: 1-chloro-4-(4-chloro-3-isothiocyanatophenyl)sulfonyl-2-isothiocyanatobenzene
SYSTEMATIC NAME: 1-chloranyl-4-(4-chloranyl-3-isothiocyanato-phenyl)sulfonyl-2-isothiocyanato-benzene
MOLECULAR FORMULA: C14H6Cl2N2O2S3
MOLECULAR WEIGHT: 401.31064
SMILES: C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)Cl)N=C=S)N=C=S)Cl
Structure:
CAS RN: 197068-87-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H20N4O4
MOLECULAR WEIGHT: 308.333
SMILES: CC12C(C3(C1N(C(=O)N(C3=O)C)C)C)N(C(=O)N(C2=O)C)C
Structure:
CAS RN: 1194-97-4
CAS Name: 5-methyl-1H-pyrrole-2-carboxylic acid methyl ester
OPENEYE Name: methyl 5-methyl-1H-pyrrole-2-carboxylate
IUPAC Name: methyl 5-methyl-1H-pyrrole-2-carboxylate
SYSTEMATIC NAME: methyl 5-methyl-1H-pyrrole-2-carboxylate
MOLECULAR FORMULA: C7H9NO2
MOLECULAR WEIGHT: 139.15186
SMILES: CC1=CC=C(N1)C(=O)OC
Structure:
CAS RN: 35959-94-5
CAS Name: 2-amino-3-[[1,3-benzodioxol-5-yl(diphenyl)methyl]thio]propanoic acid
OPENEYE Name: 2-amino-3-[1,3-benzodioxol-5-yl(diphenyl)methyl]sulfanyl-propanoic acid
IUPAC Name: 2-amino-3-[1,3-benzodioxol-5-yl(diphenyl)methyl]sulfanylpropanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[1,3-benzodioxol-5-yl(diphenyl)methyl]sulfanyl-propanoic acid
MOLECULAR FORMULA: C23H21NO4S
MOLECULAR WEIGHT: 407.48214
SMILES: C1OC2=C(O1)C=C(C=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)SCC(C(=O)O)N
Structure:
CAS RN: 31604-28-1
CAS Name: 1-(4-bromophenyl)-2-(4-methylphenyl)sulfonylethanone
OPENEYE Name: 1-(4-bromophenyl)-2-(p-tolylsulfonyl)ethanone
IUPAC Name: 1-(4-bromophenyl)-2-(4-methylphenyl)sulfonylethanone
SYSTEMATIC NAME: 1-(4-bromophenyl)-2-(4-methylphenyl)sulfonyl-ethanone
MOLECULAR FORMULA: C15H13BrO3S
MOLECULAR WEIGHT: 353.23092
SMILES: CC1=CC=C(C=C1)S(=O)(=O)CC(=O)C2=CC=C(C=C2)Br
Structure:
CAS RN: 29651-81-8
CAS Name: ethanethioic acid S-(2-nitro-1-phenylethyl) ester
OPENEYE Name: S-(2-nitro-1-phenyl-ethyl) ethanethioate
IUPAC Name: S-(2-nitro-1-phenylethyl) ethanethioate
SYSTEMATIC NAME: S-(2-nitro-1-phenyl-ethyl) ethanethioate
MOLECULAR FORMULA: C10H11NO3S
MOLECULAR WEIGHT: 225.26424
SMILES: CC(=O)SC(C[N+](=O)[O-])C1=CC=CC=C1
Structure:
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