CAS RN: 10511-51-0
CAS Name: 1-(phenylmethyl)-3-indolecarboxaldehyde
OPENEYE Name: 1-benzylindole-3-carbaldehyde
IUPAC Name: 1-benzylindole-3-carbaldehyde
SYSTEMATIC NAME: 1-(phenylmethyl)indole-3-carbaldehyde
MOLECULAR FORMULA: C16H13NO
MOLECULAR WEIGHT: 235.28052
SMILES: C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=O
Structure:
CAS RN: 33404-57-8
CAS Name: 2,3,3-trimethyl-2H-benzo[g]benzofuran-4,5-dione
OPENEYE Name: 2,3,3-trimethyl-2H-benzo[g]benzofuran-4,5-dione
IUPAC Name: 2,3,3-trimethyl-2H-benzo[g][1]benzofuran-4,5-dione
SYSTEMATIC NAME: 2,3,3-trimethyl-2H-benzo[g][1]benzofuran-4,5-dione
MOLECULAR FORMULA: C15H14O3
MOLECULAR WEIGHT: 242.26986
SMILES: CC1C(C2=C(O1)C3=CC=CC=C3C(=O)C2=O)(C)C
Structure:
CAS RN: 521-49-3
CAS Name: 2,3,3-trimethyl-2H-benzo[g]benzofuran-4,5-dione
OPENEYE Name: 2,3,3-trimethyl-2H-benzo[g]benzofuran-4,5-dione
IUPAC Name: 2,3,3-trimethyl-2H-benzo[g][1]benzofuran-4,5-dione
SYSTEMATIC NAME: 2,3,3-trimethyl-2H-benzo[g][1]benzofuran-4,5-dione
MOLECULAR FORMULA: C15H14O3
MOLECULAR WEIGHT: 242.26986
SMILES: CC1C(C2=C(O1)C3=CC=CC=C3C(=O)C2=O)(C)C
Structure:
CAS RN: 93718-83-3
CAS Name: 2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione
OPENEYE Name: 2,3-bis(2-hydroxyethylsulfanyl)naphthalene-1,4-dione
IUPAC Name: 2,3-bis(2-hydroxyethylsulfanyl)naphthalene-1,4-dione
SYSTEMATIC NAME: 2,3-bis(2-hydroxyethylsulfanyl)naphthalene-1,4-dione
MOLECULAR FORMULA: C14H14O4S2
MOLECULAR WEIGHT: 310.38856
SMILES: C1=CC=C2C(=C1)C(=O)C(=C(C2=O)SCCO)SCCO
Structure:
CAS RN: 55610-86-1
CAS Name: 2-amino-3-(4-fluorophenyl)-3-hydroxypropanoic acid
OPENEYE Name: 2-amino-3-(4-fluorophenyl)-3-hydroxy-propanoic acid
IUPAC Name: 2-amino-3-(4-fluorophenyl)-3-hydroxypropanoic acid
SYSTEMATIC NAME: 2-azanyl-3-(4-fluorophenyl)-3-oxidanyl-propanoic acid
MOLECULAR FORMULA: C9H10FNO3
MOLECULAR WEIGHT: 199.179003
SMILES: C1=CC(=CC=C1C(C(C(=O)O)N)O)F
Structure:
CAS RN: 7508-47-6
CAS Name: (8S,9R,10S,11S,13S,14S,17S)-9-bromo-11-fluoro-17-hydroxy-10,13,17-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,9R,10S,11S,13S,14S,17S)-9-bromo-11-fluoro-17-hydroxy-10,13,17-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,9R,10S,11S,13S,14S,17S)-9-bromo-11-fluoro-17-hydroxy-10,13,17-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9R,10S,11S,13S,14S,17S)-9-bromanyl-11-fluoranyl-10,13,17-trimethyl-17-oxidanyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C20H26BrFO2
MOLECULAR WEIGHT: 397.321643
SMILES: C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Br)F)C)O
Structure:
CAS RN: 13331-19-6
CAS Name: 2-propylbenzene-1,3-diol
OPENEYE Name: 2-propylbenzene-1,3-diol
IUPAC Name: 2-propylbenzene-1,3-diol
SYSTEMATIC NAME: 2-propylbenzene-1,3-diol
MOLECULAR FORMULA: C9H12O2
MOLECULAR WEIGHT: 152.19038
SMILES: CCCC1=C(C=CC=C1O)O
Structure:
CAS RN: 116529-61-4
CAS Name: 1,2,5-triphenylphosphole
OPENEYE Name: 1,2,5-triphenylphosphole
IUPAC Name: 1,2,5-triphenylphosphole
SYSTEMATIC NAME: 1,2,5-triphenylphosphole
MOLECULAR FORMULA: C22H17P
MOLECULAR WEIGHT: 312.344141
SMILES: C1=CC=C(C=C1)C2=CC=C(P2C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 5569-98-2
CAS Name: 5-amino-5-oxo-2-[[oxo(2-quinoxalinyl)methyl]amino]pentanoic acid
OPENEYE Name: 5-amino-5-oxo-2-(quinoxaline-2-carbonylamino)pentanoic acid
IUPAC Name: 5-amino-5-oxo-2-(quinoxaline-2-carbonylamino)pentanoic acid
SYSTEMATIC NAME: 5-azanyl-5-oxidanylidene-2-(quinoxalin-2-ylcarbonylamino)pentanoic acid
MOLECULAR FORMULA: C14H14N4O4
MOLECULAR WEIGHT: 302.28536
SMILES: C1=CC=C2C(=C1)N=CC(=N2)C(=O)NC(CCC(=O)N)C(=O)O
Structure:
CAS RN: 5569-97-1
CAS Name: 3-[[2-carboxy-2-[[oxo(2-quinoxalinyl)methyl]amino]ethyl]disulfanyl]-2-[[oxo(2-quinoxalinyl)methyl]amino]propanoic acid
OPENEYE Name: 3-[[2-carboxy-2-(quinoxaline-2-carbonylamino)ethyl]disulfanyl]-2-(quinoxaline-2-carbonylamino)propanoic acid
IUPAC Name: 3-[[2-carboxy-2-(quinoxaline-2-carbonylamino)ethyl]disulfanyl]-2-(quinoxaline-2-carbonylamino)propanoic acid
SYSTEMATIC NAME: 3-[[3-oxidanyl-3-oxidanylidene-2-(quinoxalin-2-ylcarbonylamino)propyl]disulfanyl]-2-(quinoxalin-2-ylcarbonylamino)propanoic acid
MOLECULAR FORMULA: C24H20N6O6S2
MOLECULAR WEIGHT: 552.5822
SMILES: C1=CC=C2C(=C1)N=CC(=N2)C(=O)NC(CSSCC(C(=O)O)NC(=O)C3=NC4=CC=CC=C4N=C3)C(=O)O
Structure:
CAS RN: 10539-20-5
CAS Name: 2-dipropoxyphosphinothioylguanidine
OPENEYE Name: 2-dipropoxyphosphinothioylguanidine
IUPAC Name: 2-dipropoxyphosphinothioylguanidine
SYSTEMATIC NAME: 2-dipropoxyphosphinothioylguanidine
MOLECULAR FORMULA: C7H18N3O2PS
MOLECULAR WEIGHT: 239.275481
SMILES: CCCOP(=S)(N=C(N)N)OCCC
Structure:
CAS RN: 147-18-2
CAS Name: [2-[(dimethylamino)methyl]-1-naphthalenyl]-diphenylmethanol
OPENEYE Name: [2-[(dimethylamino)methyl]-1-naphthyl]-diphenyl-methanol
IUPAC Name: [2-[(dimethylamino)methyl]naphthalen-1-yl]-diphenylmethanol
SYSTEMATIC NAME: [2-[(dimethylamino)methyl]naphthalen-1-yl]-diphenyl-methanol
MOLECULAR FORMULA: C26H25NO
MOLECULAR WEIGHT: 367.4828
SMILES: CN(C)CC1=C(C2=CC=CC=C2C=C1)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
Structure:
CAS RN: 50921-58-9
CAS Name: (8R,9S,10R,13S,14S,17S)-17-[bis[[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]-phenylsilyl]oxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-o
OPENEYE Name: (8R,9S,10R,13S,14S,17S)-17-[bis[[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]-phenyl-silyl]oxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-
IUPAC Name: (8R,9S,10R,13S,14S,17S)-17-[bis[[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]-phenylsilyl]oxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-o
SYSTEMATIC NAME: (8R,9S,10R,13S,14S,17S)-17-[bis[[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy]-phenyl-silyl]oxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phen
MOLECULAR FORMULA: C63H86O6Si
MOLECULAR WEIGHT: 967.43884
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[Si](C4=CC=CC=C4)(O[C@H]5CC[C@@H]6[C@@]5(CC[C@H]7[C@H]6CCC8=CC(=O)CC[C@]78C)C)O[C@H]9CC[C@@H]1[C@@]9(CC[C@H]2[C@H]1CCC1=CC(=O)CC[C@]21C)C)CCC1=CC(=O)CC[C@]31C
Structure:
CAS RN: 5243-82-3
CAS Name: (8R,9S,10R,13S,14S,17S)-17-[[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy-diphenylsilyl]oxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8R,9S,10R,13S,14S,17S)-17-[[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy-diphenyl-silyl]oxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8R,9S,10R,13S,14S,17S)-17-[[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy-diphenylsilyl]oxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8R,9S,10R,13S,14S,17S)-17-[[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy-diphenyl-silyl]oxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenant
MOLECULAR FORMULA: C50H64O4Si
MOLECULAR WEIGHT: 757.12626
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)O[C@H]6CC[C@@H]7[C@@]6(CC[C@H]8[C@H]7CCC9=CC(=O)CC[C@]89C)C)CCC1=CC(=O)CC[C@]31C
Structure:
CAS RN: 5210-46-8
CAS Name: (8R,9S,10R,13S,14S,17S)-17-[[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy-diphenylsilyl]oxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
OPENEYE Name: (8R,9S,10R,13S,14S,17S)-17-[[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy-diphenyl-silyl]oxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
IUPAC Name: (8R,9S,10R,13S,14S,17S)-17-[[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy-diphenylsilyl]oxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8R,9S,10R,13S,14S,17S)-17-[[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]oxy-diphenyl-silyl]oxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenant
MOLECULAR FORMULA: C50H64O4Si
MOLECULAR WEIGHT: 757.12626
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)O[C@H]6CC[C@@H]7[C@@]6(CC[C@H]8[C@H]7CCC9=CC(=O)CC[C@]89C)C)CCC1=CC(=O)CC[C@]31C
Structure:
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