CAS RN: 64011-20-7
CAS Name: [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] dihydrogen phosphate; propanoic acid [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-10
OPENEYE Name: [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] dihydrogen phosphate; [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-10,13,16-trimeth
IUPAC Name: [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] dihydrogen phosphate; [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-10,13,16-trimethy
SYSTEMATIC NAME: [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoranyl-10,13,16-trimethyl-11,17-bis(oxidanyl)-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] dihydrogen phosphate; [2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoran
MOLECULAR FORMULA: C50H67F2O15P
MOLECULAR WEIGHT: 977.028547
SMILES: CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)OC(=O)CC.C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COP(=O)(O)O)O)C)O)F)C
Structure:
CAS RN: 128840-36-8
CAS Name: 2-methyl-2-propenoic acid (4-tert-butyl-2-hydroxycyclohexyl) ester
OPENEYE Name: (4-tert-butyl-2-hydroxy-cyclohexyl) 2-methylprop-2-enoate
IUPAC Name: (4-tert-butyl-2-hydroxycyclohexyl) 2-methylprop-2-enoate
SYSTEMATIC NAME: (4-tert-butyl-2-oxidanyl-cyclohexyl) 2-methylprop-2-enoate
MOLECULAR FORMULA: C14H24O3
MOLECULAR WEIGHT: 240.33856
SMILES: CC(=C)C(=O)OC1CCC(CC1O)C(C)(C)C
Structure:
CAS RN: 128717-80-6
CAS Name: 2-(7-methoxy-1H-indol-3-yl)-2,2-bis(methylthio)acetonitrile
OPENEYE Name: 2-(7-methoxy-1H-indol-3-yl)-2,2-bis(methylsulfanyl)acetonitrile
IUPAC Name: 2-(7-methoxy-1H-indol-3-yl)-2,2-bis(methylsulfanyl)acetonitrile
SYSTEMATIC NAME: 2-(7-methoxy-1H-indol-3-yl)-2,2-bis(methylsulfanyl)ethanenitrile
MOLECULAR FORMULA: C13H14N2OS2
MOLECULAR WEIGHT: 278.39306
SMILES: COC1=CC=CC2=C1NC=C2C(C#N)(SC)SC
Structure:
CAS RN: 128656-63-3
CAS Name: N-[(2S)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide
OPENEYE Name: N-[(1S)-1-benzyl-3,3,3-trifluoro-2-oxo-propyl]acetamide
IUPAC Name: N-[(2S)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide
SYSTEMATIC NAME: N-[(2S)-4,4,4-tris(fluoranyl)-3-oxidanylidene-1-phenyl-butan-2-yl]ethanamide
MOLECULAR FORMULA: C12H12F3NO2
MOLECULAR WEIGHT: 259.22439
SMILES: CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)C(F)(F)F
Structure:
CAS RN: 128651-50-3
CAS Name: trifluoromethanesulfonic acid 2-(1,3-dioxo-2-benzo[f]isoindolyl)ethyl ester
OPENEYE Name: 2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl trifluoromethanesulfonate
IUPAC Name: 2-(1,3-dioxobenzo[f]isoindol-2-yl)ethyl trifluoromethanesulfonate
SYSTEMATIC NAME: 2-[1,3-bis(oxidanylidene)benzo[f]isoindol-2-yl]ethyl tris(fluoranyl)methanesulfonate
MOLECULAR FORMULA: C15H10F3NO5S
MOLECULAR WEIGHT: 373.30381
SMILES: C1=CC=C2C=C3C(=CC2=C1)C(=O)N(C3=O)CCOS(=O)(=O)C(F)(F)F
Structure:
CAS RN: 128650-18-0
CAS Name: 5-[2]benzopyrano[3,4-g][1,4]benzodioxinone
OPENEYE Name: isochromeno[3,4-g][1,4]benzodioxin-5-one
IUPAC Name: isochromeno[3,4-g][1,4]benzodioxin-5-one
SYSTEMATIC NAME: isochromeno[3,4-g][1,4]benzodioxin-5-one
MOLECULAR FORMULA: C15H8O4
MOLECULAR WEIGHT: 252.22162
SMILES: C1=CC=C2C(=C1)C3=CC4=C(C=C3OC2=O)OC=CO4
Structure:
CAS RN: 128637-87-6
CAS Name: (3S)-4-[(1R,4R)-5-hydroxy-2-methyl-2-azabicyclo[2.2.2]octan-5-yl]-3-methylbutanoic acid
OPENEYE Name: (3S)-4-[(1R,4R)-5-hydroxy-2-methyl-2-azabicyclo[2.2.2]octan-5-yl]-3-methyl-butanoic acid
IUPAC Name: (3S)-4-[(1R,4R)-5-hydroxy-2-methyl-2-azabicyclo[2.2.2]octan-5-yl]-3-methylbutanoic acid
SYSTEMATIC NAME: (3S)-3-methyl-4-[(1R,4R)-2-methyl-5-oxidanyl-2-azabicyclo[2.2.2]octan-5-yl]butanoic acid
MOLECULAR FORMULA: C13H23NO3
MOLECULAR WEIGHT: 241.32662
SMILES: C[C@H](CC(=O)O)CC1(C[C@H]2CC[C@@H]1CN2C)O
Structure:
CAS RN: 128505-88-4
CAS Name: (4aS,12bR)-8,10-dihydroxy-2,5,5,9-tetramethyl-3,4,4a,12b-tetrahydronaphtho[2,3-c][2]benzopyran-7,12-dione
OPENEYE Name: (4aS,12bR)-8,10-dihydroxy-2,5,5,9-tetramethyl-3,4,4a,12b-tetrahydronaphtho[2,3-c]isochromene-7,12-dione
IUPAC Name: (4aS,12bR)-8,10-dihydroxy-2,5,5,9-tetramethyl-3,4,4a,12b-tetrahydronaphtho[2,3-c]isochromene-7,12-dione
SYSTEMATIC NAME: (4aS,12bR)-2,5,5,9-tetramethyl-8,10-bis(oxidanyl)-3,4,4a,12b-tetrahydronaphtho[2,3-c]isochromene-7,12-dione
MOLECULAR FORMULA: C21H22O5
MOLECULAR WEIGHT: 354.39638
SMILES: CC1=C[C@@H]2[C@H](CC1)C(OC3=C2C(=O)C4=CC(=C(C(=C4C3=O)O)C)O)(C)C
Structure:
CAS RN: 63939-03-7
CAS Name: 1,1-diphenylbut-1-en-2-ylbenzene
OPENEYE Name: 1-benzhydrylidenepropylbenzene
IUPAC Name: 1,1-diphenylbut-1-en-2-ylbenzene
SYSTEMATIC NAME: 1,1-diphenylbut-1-en-2-ylbenzene
MOLECULAR FORMULA: C22H20
MOLECULAR WEIGHT: 284.3942
SMILES: CCC(=C(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 63938-10-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H12O
MOLECULAR WEIGHT: 244.28728
SMILES: C1=CC=C2C(=C1)C=CC3=C2C4=C(C=C3)C5C(O5)C=C4
Structure:
CAS RN: 98873-77-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C49H53NO15
MOLECULAR WEIGHT: 895.94282
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)C)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C
Structure:
CAS RN: 98864-59-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C49H53NO15
MOLECULAR WEIGHT: 895.94282
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C
Structure:
CAS RN: 98781-27-2
CAS Name: (2S)-2-amino-3-[1-(2,4,6-trimethylphenyl)sulfonyl-3-indolyl]propanoic acid
OPENEYE Name: (2S)-2-amino-3-[1-(2,4,6-trimethylphenyl)sulfonylindol-3-yl]propanoic acid
IUPAC Name: (2S)-2-amino-3-[1-(2,4,6-trimethylphenyl)sulfonylindol-3-yl]propanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-[1-(2,4,6-trimethylphenyl)sulfonylindol-3-yl]propanoic acid
MOLECULAR FORMULA: C20H22N2O4S
MOLECULAR WEIGHT: 386.46468
SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C=C(C3=CC=CC=C32)C[C@@H](C(=O)O)N)C
Structure:
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