CAS RN: 18083-37-9
CAS Name: (3R,5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3R,5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (3R,5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3R,5R,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C23H38O3
MOLECULAR WEIGHT: 362.54602
SMILES: C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C5(OCCO5)C)C)O
Structure:
CAS RN: 133132-74-8
CAS Name: 4-chloro-3-methyl-2,2-diphenylbutanenitrile
OPENEYE Name: 4-chloro-3-methyl-2,2-diphenyl-butanenitrile
IUPAC Name: 4-chloro-3-methyl-2,2-diphenylbutanenitrile
SYSTEMATIC NAME: 4-chloranyl-3-methyl-2,2-diphenyl-butanenitrile
MOLECULAR FORMULA: C17H16ClN
MOLECULAR WEIGHT: 269.76864
SMILES: CC(CCl)C(C#N)(C1=CC=CC=C1)C2=CC=CC=C2
Structure:
CAS RN: 38775-52-9
CAS Name: 2-[4-[4-(2-ethoxy-2-oxoethoxy)phenyl]sulfonylphenoxy]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[4-[4-(2-ethoxy-2-oxo-ethoxy)phenyl]sulfonylphenoxy]acetate
IUPAC Name: ethyl 2-[4-[4-(2-ethoxy-2-oxoethoxy)phenyl]sulfonylphenoxy]acetate
SYSTEMATIC NAME: ethyl 2-[4-[4-(2-ethoxy-2-oxidanylidene-ethoxy)phenyl]sulfonylphenoxy]ethanoate
MOLECULAR FORMULA: C20H22O8S
MOLECULAR WEIGHT: 422.44888
SMILES: CCOC(=O)COC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)OCC
Structure:
CAS RN: 51072-30-1
CAS Name: 1-chloro-4-[(4-chlorophenyl)sulfonylthio]sulfonylbenzene
OPENEYE Name: 1-chloro-4-(4-chlorophenyl)sulfonylsulfanylsulfonyl-benzene
IUPAC Name: 1-chloro-4-(4-chlorophenyl)sulfonylsulfanylsulfonylbenzene
SYSTEMATIC NAME: 1-chloranyl-4-(4-chlorophenyl)sulfonylsulfanylsulfonyl-benzene
MOLECULAR FORMULA: C12H8Cl2O4S3
MOLECULAR WEIGHT: 383.29052
SMILES: C1=CC(=CC=C1S(=O)(=O)SS(=O)(=O)C2=CC=C(C=C2)Cl)Cl
Structure:
CAS RN: 3216-46-4
CAS Name: 4-phenyl-7a,8-dihydro-7H-thieno[2,3-f]isobenzofuran-5-one
OPENEYE Name: 4-phenyl-7a,8-dihydro-7H-thieno[2,3-f]isobenzofuran-5-one
IUPAC Name: 4-phenyl-7a,8-dihydro-7H-thieno[2,3-f][2]benzofuran-5-one
SYSTEMATIC NAME: 4-phenyl-7a,8-dihydro-7H-thieno[2,3-f][2]benzofuran-5-one
MOLECULAR FORMULA: C16H12O2S
MOLECULAR WEIGHT: 268.33028
SMILES: C1C2COC(=O)C2=C(C3=C1SC=C3)C4=CC=CC=C4
Structure:
CAS RN: 3570-25-0
CAS Name: 1-(2-chlorophenyl)-5-phenylpentane-1,3,5-trione
OPENEYE Name: 1-(2-chlorophenyl)-5-phenyl-pentane-1,3,5-trione
IUPAC Name: 1-(2-chlorophenyl)-5-phenylpentane-1,3,5-trione
SYSTEMATIC NAME: 1-(2-chlorophenyl)-5-phenyl-pentane-1,3,5-trione
MOLECULAR FORMULA: C17H13ClO3
MOLECULAR WEIGHT: 300.73632
SMILES: C1=CC=C(C=C1)C(=O)CC(=O)CC(=O)C2=CC=CC=C2Cl
Structure:
CAS RN: 174655-16-4
CAS Name: 2,6-bis(4-chlorophenyl)-4-pyranone
OPENEYE Name: 2,6-bis(4-chlorophenyl)pyran-4-one
IUPAC Name: 2,6-bis(4-chlorophenyl)pyran-4-one
SYSTEMATIC NAME: 2,6-bis(4-chlorophenyl)pyran-4-one
MOLECULAR FORMULA: C17H10Cl2O2
MOLECULAR WEIGHT: 317.1661
SMILES: C1=CC(=CC=C1C2=CC(=O)C=C(O2)C3=CC=C(C=C3)Cl)Cl
Structure:
CAS RN: 1098-93-7
CAS Name: benzenesulfonic acid [7-methyl-8-(methylthio)-2,6-dioxo-3H-purin-1-yl] ester
OPENEYE Name: (7-methyl-8-methylsulfanyl-2,6-dioxo-3H-purin-1-yl) benzenesulfonate
IUPAC Name: (7-methyl-8-methylsulfanyl-2,6-dioxo-3H-purin-1-yl) benzenesulfonate
SYSTEMATIC NAME: [7-methyl-8-methylsulfanyl-2,6-bis(oxidanylidene)-3H-purin-1-yl] benzenesulfonate
MOLECULAR FORMULA: C13H12N4O5S2
MOLECULAR WEIGHT: 368.38818
SMILES: CN1C2=C(NC(=O)N(C2=O)OS(=O)(=O)C3=CC=CC=C3)N=C1SC
Structure:
CAS RN: 1078-14-4
CAS Name: 1-hydroxy-7-methyl-3H-purine-2,6-dione
OPENEYE Name: 1-hydroxy-7-methyl-3H-purine-2,6-dione
IUPAC Name: 1-hydroxy-7-methyl-3H-purine-2,6-dione
SYSTEMATIC NAME: 7-methyl-1-oxidanyl-3H-purine-2,6-dione
MOLECULAR FORMULA: C6H6N4O3
MOLECULAR WEIGHT: 182.13684
SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2)O
Structure:
CAS RN: 1094-67-3
CAS Name: benzenesulfonic acid (7-methyl-2,6-dioxo-3H-purin-1-yl) ester
OPENEYE Name: (7-methyl-2,6-dioxo-3H-purin-1-yl) benzenesulfonate
IUPAC Name: (7-methyl-2,6-dioxo-3H-purin-1-yl) benzenesulfonate
SYSTEMATIC NAME: [7-methyl-2,6-bis(oxidanylidene)-3H-purin-1-yl] benzenesulfonate
MOLECULAR FORMULA: C12H10N4O5S
MOLECULAR WEIGHT: 322.2966
SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2)OS(=O)(=O)C3=CC=CC=C3
Structure:
CAS RN: 7017-88-1
CAS Name: 3-nitro-N-phenyldiazenylaniline
OPENEYE Name: 3-nitro-N-phenylazo-aniline
IUPAC Name: 3-nitro-N-phenyldiazenylaniline
SYSTEMATIC NAME: 3-nitro-N-phenyldiazenyl-aniline
MOLECULAR FORMULA: C12H10N4O2
MOLECULAR WEIGHT: 242.2334
SMILES: C1=CC=C(C=C1)N=NNC2=CC(=CC=C2)[N+](=O)[O-]
Structure:
CAS RN: 31352-31-5
CAS Name: N-(2-nitrophenyl)azoaniline
OPENEYE Name: N-(2-nitrophenyl)azoaniline
IUPAC Name: N-[(2-nitrophenyl)diazenyl]aniline
SYSTEMATIC NAME: N-[(2-nitrophenyl)diazenyl]aniline
MOLECULAR FORMULA: C12H10N4O2
MOLECULAR WEIGHT: 242.2334
SMILES: C1=CC=C(C=C1)NN=NC2=CC=CC=C2[N+](=O)[O-]
Structure:
CAS RN: 5453-76-9
CAS Name: 2-nitro-N-(2-nitrophenyl)azoaniline
OPENEYE Name: 2-nitro-N-(2-nitrophenyl)azo-aniline
IUPAC Name: 2-nitro-N-[(2-nitrophenyl)diazenyl]aniline
SYSTEMATIC NAME: 2-nitro-N-[(2-nitrophenyl)diazenyl]aniline
MOLECULAR FORMULA: C12H9N5O4
MOLECULAR WEIGHT: 287.23096
SMILES: C1=CC=C(C(=C1)NN=NC2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 22775-37-7
CAS Name: N-(4-chlorophenyl)azoaniline
OPENEYE Name: N-(4-chlorophenyl)azoaniline
IUPAC Name: N-[(4-chlorophenyl)diazenyl]aniline
SYSTEMATIC NAME: N-[(4-chlorophenyl)diazenyl]aniline
MOLECULAR FORMULA: C12H10ClN3
MOLECULAR WEIGHT: 231.6809
SMILES: C1=CC=C(C=C1)NN=NC2=CC=C(C=C2)Cl
Structure:
CAS RN: 20943-48-0
CAS Name: 3-chloro-N-(3-chlorophenyl)azoaniline
OPENEYE Name: 3-chloro-N-(3-chlorophenyl)azo-aniline
IUPAC Name: 3-chloro-N-[(3-chlorophenyl)diazenyl]aniline
SYSTEMATIC NAME: 3-chloranyl-N-[(3-chlorophenyl)diazenyl]aniline
MOLECULAR FORMULA: C12H9Cl2N3
MOLECULAR WEIGHT: 266.12596
SMILES: C1=CC(=CC(=C1)Cl)NN=NC2=CC(=CC=C2)Cl
Structure:
CAS RN: 24380-21-0
CAS Name: 2-(2,3,4,5,6-pentachlorophenyl)acetonitrile
OPENEYE Name: 2-(2,3,4,5,6-pentachlorophenyl)acetonitrile
IUPAC Name: 2-(2,3,4,5,6-pentachlorophenyl)acetonitrile
SYSTEMATIC NAME: 2-[2,3,4,5,6-pentakis(chloranyl)phenyl]ethanenitrile
MOLECULAR FORMULA: C8H2Cl5N
MOLECULAR WEIGHT: 289.37318
SMILES: C(C#N)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
Structure:
CAS RN: 20801-65-4
CAS Name: 4-methylbenzenesulfonic acid 2,3,4,5,6-pentakis-(4-methylphenyl)sulfonyloxyhexyl ester
OPENEYE Name: 2,3,4,5,6-pentakis(p-tolylsulfonyloxy)hexyl 4-methylbenzenesulfonate
IUPAC Name: 2,3,4,5,6-pentakis-(4-methylphenyl)sulfonyloxyhexyl 4-methylbenzenesulfonate
SYSTEMATIC NAME: 2,3,4,5,6-pentakis-(4-methylphenyl)sulfonyloxyhexyl 4-methylbenzenesulfonate
MOLECULAR FORMULA: C48H50O18S6
MOLECULAR WEIGHT: 1107.2898
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C(C(COS(=O)(=O)C2=CC=C(C=C2)C)OS(=O)(=O)C3=CC=C(C=C3)C)OS(=O)(=O)C4=CC=C(C=C4)C)OS(=O)(=O)C5=CC=C(C=C5)C)OS(=O)(=O)C6=CC=C(C=C6)C
Structure:
CAS RN: 25569-77-1
CAS Name: 1,2-dichloro-4-(3,4-dichlorophenyl)sulfonylbenzene
OPENEYE Name: 1,2-dichloro-4-(3,4-dichlorophenyl)sulfonyl-benzene
IUPAC Name: 1,2-dichloro-4-(3,4-dichlorophenyl)sulfonylbenzene
SYSTEMATIC NAME: 1,2-bis(chloranyl)-4-(3,4-dichlorophenyl)sulfonyl-benzene
MOLECULAR FORMULA: C12H6Cl4O2S
MOLECULAR WEIGHT: 356.05184
SMILES: C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)Cl)Cl
Structure:
CAS RN: 28519-95-1
CAS Name: 1-methyl-4-[(4-methylphenyl)sulfonyltetrasulfanyl]sulfonylbenzene
OPENEYE Name: 1-methyl-4-(p-tolylsulfonyltetrasulfanyl)sulfonyl-benzene
IUPAC Name: 1-methyl-4-[(4-methylphenyl)sulfonyltetrasulfanyl]sulfonylbenzene
SYSTEMATIC NAME: 1-methyl-4-[(4-methylphenyl)sulfonyltetrasulfanyl]sulfonyl-benzene
MOLECULAR FORMULA: C14H14O4S6
MOLECULAR WEIGHT: 438.64856
SMILES: CC1=CC=C(C=C1)S(=O)(=O)SSSSS(=O)(=O)C2=CC=C(C=C2)C
Structure:
CAS RN: 4388-22-1
CAS Name: (benzenesulfonylthio)sulfonylbenzene
OPENEYE Name: benzenesulfonylsulfanylsulfonylbenzene
IUPAC Name: benzenesulfonylsulfanylsulfonylbenzene
SYSTEMATIC NAME: phenylsulfonylsulfanylsulfonylbenzene
MOLECULAR FORMULA: C12H10O4S3
MOLECULAR WEIGHT: 314.4004
SMILES: C1=CC=C(C=C1)S(=O)(=O)SS(=O)(=O)C2=CC=CC=C2
Structure:
CAS RN: 20069-28-7
CAS Name: 2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]acetic acid
OPENEYE Name: 2-(pyrrolidine-1-carbothioylsulfanyl)acetic acid
IUPAC Name: 2-(pyrrolidine-1-carbothioylsulfanyl)acetic acid
SYSTEMATIC NAME: 2-pyrrolidin-1-ylcarbothioylsulfanylethanoic acid
MOLECULAR FORMULA: C7H11NO2S2
MOLECULAR WEIGHT: 205.29774
SMILES: C1CCN(C1)C(=S)SCC(=O)O
Structure:
CAS RN: 145250-81-3
CAS Name: 1-methyl-4-(4-methyl-3-nitrophenyl)sulfonyl-2-nitrobenzene
OPENEYE Name: 1-methyl-4-(4-methyl-3-nitro-phenyl)sulfonyl-2-nitro-benzene
IUPAC Name: 1-methyl-4-(4-methyl-3-nitrophenyl)sulfonyl-2-nitrobenzene
SYSTEMATIC NAME: 1-methyl-4-(4-methyl-3-nitro-phenyl)sulfonyl-2-nitro-benzene
MOLECULAR FORMULA: C14H12N2O6S
MOLECULAR WEIGHT: 336.31988
SMILES: CC1=C(C=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 41993-30-0
CAS Name: 1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)sulfonylbenzene
OPENEYE Name: 1-allyloxy-4-(4-allyloxyphenyl)sulfonyl-benzene
IUPAC Name: 1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)sulfonylbenzene
SYSTEMATIC NAME: 1-prop-2-enoxy-4-(4-prop-2-enoxyphenyl)sulfonyl-benzene
MOLECULAR FORMULA: C18H18O4S
MOLECULAR WEIGHT: 330.39812
SMILES: C=CCOC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OCC=C
Structure:
CAS RN: 40656-44-8
CAS Name: 1-[[(3,5-dichloro-2-hydroxyphenyl)methyl-methylamino]methyl]-2-naphthalenol
OPENEYE Name: 1-[[(3,5-dichloro-2-hydroxy-phenyl)methyl-methyl-amino]methyl]naphthalen-2-ol
IUPAC Name: 1-[[(3,5-dichloro-2-hydroxyphenyl)methyl-methylamino]methyl]naphthalen-2-ol
SYSTEMATIC NAME: 1-[[[3,5-bis(chloranyl)-2-oxidanyl-phenyl]methyl-methyl-amino]methyl]naphthalen-2-ol
MOLECULAR FORMULA: C19H17Cl2NO2
MOLECULAR WEIGHT: 362.24978
SMILES: CN(CC1=CC(=CC(=C1O)Cl)Cl)CC2=C(C=CC3=CC=CC=C32)O
Structure:
CAS RN: 35531-90-9
CAS Name: 1-[[(2-hydroxy-3,5-dimethylphenyl)methyl-methylamino]methyl]-2-naphthalenol
OPENEYE Name: 1-[[(2-hydroxy-3,5-dimethyl-phenyl)methyl-methyl-amino]methyl]naphthalen-2-ol
IUPAC Name: 1-[[(2-hydroxy-3,5-dimethylphenyl)methyl-methylamino]methyl]naphthalen-2-ol
SYSTEMATIC NAME: 1-[[(3,5-dimethyl-2-oxidanyl-phenyl)methyl-methyl-amino]methyl]naphthalen-2-ol
MOLECULAR FORMULA: C21H23NO2
MOLECULAR WEIGHT: 321.41282
SMILES: CC1=CC(=C(C(=C1)CN(C)CC2=C(C=CC3=CC=CC=C32)O)O)C
Structure:
CAS RN: 5429-69-6
CAS Name: (3S,5S,8S,9S,10S,13R,14S,16S)-3-methoxy-10,13,16-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-ol
OPENEYE Name: (3S,5S,8S,9S,10S,13R,14S,16S)-3-methoxy-10,13,16-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-ol
IUPAC Name: (3S,5S,8S,9S,10S,13R,14S,16S)-3-methoxy-10,13,16-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-ol
SYSTEMATIC NAME: (3S,5S,8S,9S,10S,13R,14S,16S)-3-methoxy-10,13,16-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-ol
MOLECULAR FORMULA: C21H36O2
MOLECULAR WEIGHT: 320.50934
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@](C2)(C)O)CC[C@@H]4[C@@]3(CC[C@@H](C4)OC)C
Structure:
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