CAS RN: 21315-98-0
CAS Name: 3'-$l^{1}-oxidanyl-4',4',10,13-tetramethyl-17-(6-methylheptan-2-yl)spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-oxazolidine]
OPENEYE Name: 17-(1,5-dimethylhexyl)-3'-$l^{1}-oxidanyl-4',4',10,13-tetramethyl-spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-oxazolidine]
IUPAC Name: 3'-$l^{1}-oxidanyl-4',4',10,13-tetramethyl-17-(6-methylheptan-2-yl)spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-oxazolidine]
SYSTEMATIC NAME: 3'-$l^{1}-oxidanyl-4',4',10,13-tetramethyl-17-(6-methylheptan-2-yl)spiro[1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,2'-1,3-oxazolidine]
MOLECULAR FORMULA: C31H54NO2
MOLECULAR WEIGHT: 472.76596
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC5(C4)N(C(CO5)(C)C)[O])C)C
CAS RN: 99506-30-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H26O6
MOLECULAR WEIGHT: 362.41684
SMILES: CC1(CCCC23[C@@H]1[C@@H](C4([C@]56[C@H]2[C@H](C[C@H]([C@H]5O[C@H]3O4)C(=C)C6=O)O)O)O)C
CAS RN: 984-33-8
CAS Name: 6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one; sulfuric acid
OPENEYE Name: 6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one; sulfuric acid
IUPAC Name: 6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one; sulfuric acid
SYSTEMATIC NAME: 6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one; sulfuric acid
MOLECULAR FORMULA: C21H23NO10S
MOLECULAR WEIGHT: 481.47302
SMILES: CN1CCC2=CC3=C(C=C2[C@@H]1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OCO3.OS(=O)(=O)O
CAS RN: 97730-95-5
CAS Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-2-oxolanyl] [5-(6-aminopurin-9-yl)-2-[[[2-[[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-3-
OPENEYE Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl] [5-(6-aminopurin-9-yl)-2-[[[2-[[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-h
IUPAC Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl] [5-(6-aminopurin-9-yl)-2-[[[2-[[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxo
SYSTEMATIC NAME: [5-(6-aminopurin-9-yl)-2-[[[2-[[[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]oxolan-3-yl] [5-(2-azanyl-6-oxidanylidene
MOLECULAR FORMULA: C39H55N20O21P3Pt
MOLECULAR WEIGHT: 1427.974683
SMILES: CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3CO)N4C=NC5=C4N=CN=C5N)OP(=O)(O)OCC6C(CC(O6)N7C=NC8=C7N=CN=C8N)OP(=O)(O)OC9C(CC(O9)N1C=NC2=C1NC(=NC2=O)N)O.N.[NH2-].[NH2-].[Pt+2]
CAS RN: 97148-48-6
CAS Name: (2S)-2-[(2R,3R,4S,5R,6S)-2-hydroxy-6-[(1S)-1-[(3S,7S,8R,9S)-3-[(2R,5S)-5-[(2R,3S,4R)-5-[(2S,3S,4S,5R,6S)-6-hydroxy-4-methoxy-3,5,6-trimethyl-2-oxanyl]-4-methoxy-3-methyl-2-oxolanyl]-5-methyl-2-oxolanyl]-7-methoxy-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-y
OPENEYE Name: (2S)-2-[(2R,3R,4S,5R,6S)-2-hydroxy-6-[(1S)-1-[(3S,7S,8R,9S)-3-[(2R,5S)-5-[(2R,3S,4R)-5-[(2S,3S,4S,5R,6S)-6-hydroxy-4-methoxy-3,5,6-trimethyl-tetrahydropyran-2-yl]-4-methoxy-3-methyl-tetrahydrofuran-2-yl]-5-methyl-tetrahydrofuran-2-yl]-7-methoxy-3,8-dimeth
IUPAC Name: (2S)-2-[(2R,3R,4S,5R,6S)-2-hydroxy-6-[(1S)-1-[(3S,7S,8R,9S)-3-[(2R,5S)-5-[(2R,3S,4R)-5-[(2S,3S,4S,5R,6S)-6-hydroxy-4-methoxy-3,5,6-trimethyloxan-2-yl]-4-methoxy-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-7-methoxy-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-y
SYSTEMATIC NAME: (2S)-2-[(2R,3R,4S,5R,6S)-4-methoxy-6-[(1S)-1-[(3S,7S,8R,9S)-7-methoxy-3-[(2R,5S)-5-[(2R,3S,4R)-4-methoxy-5-[(2S,3S,4S,5R,6S)-4-methoxy-3,5,6-trimethyl-6-oxidanyl-oxan-2-yl]-3-methyl-oxolan-2-yl]-5-methyl-oxolan-2-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan
MOLECULAR FORMULA: C44H76O14
MOLECULAR WEIGHT: 829.06584
SMILES: C[C@@H]1[C@H](CC2(CC[C@@](O2)(C)[C@H]3CC[C@@](O3)(C)[C@H]4[C@H]([C@H](C(O4)[C@@H]5[C@H]([C@@H]([C@H]([C@@](O5)(C)O)C)OC)C)OC)C)O[C@@H]1[C@@H](C)[C@@H]6[C@@H]([C@@H]([C@H]([C@@](O6)([C@H](C)C(=O)O)O)C)OC)C)OC
CAS RN: 93239-37-3
CAS Name: sulfuric acid [(3aS,4R,8S,10aR)-2,6-diamino-9,9-dihydroxy-4-(hydroxymethyl)-3a,4,8,10-tetrahydro-1H-pyrrolo[1,2-c]purin-8-yl] ester
OPENEYE Name: [(3aS,4R,8S,10aR)-2,6-diamino-9,9-dihydroxy-4-(hydroxymethyl)-3a,4,8,10-tetrahydro-1H-pyrrolo[1,2-c]purin-8-yl] hydrogen sulfate
IUPAC Name: [(3aS,4R,8S,10aR)-2,6-diamino-9,9-dihydroxy-4-(hydroxymethyl)-3a,4,8,10-tetrahydro-1H-pyrrolo[1,2-c]purin-8-yl] hydrogen sulfate
SYSTEMATIC NAME: [(3aS,4R,8S,10aR)-2,6-bis(azanyl)-4-(hydroxymethyl)-9,9-bis(oxidanyl)-3a,4,8,10-tetrahydro-1H-pyrrolo[1,2-c]purin-8-yl] hydrogen sulfate
MOLECULAR FORMULA: C9H16N6O7S
MOLECULAR WEIGHT: 352.32434
SMILES: C1[C@]23[C@H]([C@@H](N=C(N2[C@H](C1(O)O)OS(=O)(=O)O)N)CO)N=C(N3)N
CAS RN: 91829-95-7
CAS Name: (6R,7R,7aR,7bR)-6-hydroxy-1a-[(2R)-2-(hydroxymethyl)-2-oxiranyl]-7,7a-dimethyl-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-2-one
OPENEYE Name: (6R,7R,7aR,7bR)-6-hydroxy-1a-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-7,7a-dimethyl-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-2-one
IUPAC Name: (6R,7R,7aR,7bR)-6-hydroxy-1a-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-7,7a-dimethyl-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-2-one
SYSTEMATIC NAME: (6R,7R,7aR,7bR)-1a-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-7,7a-dimethyl-6-oxidanyl-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-2-one
MOLECULAR FORMULA: C15H20O5
MOLECULAR WEIGHT: 280.3163
SMILES: C[C@H]1[C@@H](CCC2=CC(=O)C3([C@@H]([C@]12C)O3)[C@]4(CO4)CO)O
CAS RN: 90706-52-8
CAS Name: (2E)-2-[(4Z)-2,5-dichloro-4-hydroxyimino-1-cyclohexa-2,5-dienylidene]-2-(4-methoxyphenyl)acetonitrile
OPENEYE Name: (2E)-2-[(4Z)-2,5-dichloro-4-hydroxyimino-cyclohexa-2,5-dien-1-ylidene]-2-(4-methoxyphenyl)acetonitrile
IUPAC Name: (2E)-2-[(4Z)-2,5-dichloro-4-hydroxyiminocyclohexa-2,5-dien-1-ylidene]-2-(4-methoxyphenyl)acetonitrile
SYSTEMATIC NAME: (2E)-2-[(4Z)-2,5-bis(chloranyl)-4-hydroxyimino-cyclohexa-2,5-dien-1-ylidene]-2-(4-methoxyphenyl)ethanenitrile
MOLECULAR FORMULA: C15H10Cl2N2O2
MOLECULAR WEIGHT: 321.1581
SMILES: COC1=CC=C(C=C1)/C(=C\2/C=C(/C(=N\O)/C=C2Cl)Cl)/C#N
CAS RN: 9009-48-7
CAS Name: acetic acid; (4-azidophenyl)mercury
OPENEYE Name: acetic acid; (4-azidophenyl)mercury
IUPAC Name: acetic acid; (4-azidophenyl)mercury
SYSTEMATIC NAME: (4-azidophenyl)mercury; ethanoic acid
MOLECULAR FORMULA: C8H8HgN3O2
MOLECULAR WEIGHT: 378.75802
SMILES: CC(=O)O.C1=CC(=CC=C1N=[N+]=[N-])[Hg]
CAS RN: 88497-95-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H68O14
MOLECULAR WEIGHT: 784.97022
SMILES: C[C@]12CC[C@@]34C[C@@]35CC[C@@H](C([C@@H]5[C@H](C[C@H]4[C@@]1(C[C@@H](C2[C@]6(CC[C@H](O6)C(C)(C)O)C)O)C)O[C@H]7C([C@H](C([C@H](O7)CO)O)O)O)(C)C)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O
CAS RN: 86163-91-9
CAS Name: (2S,3R,4S,5R)-2-[[(2R,3R,4S,5S,6R)-2-[[(6S,10R,12S,13R,14R)-3,12-dihydroxy-17-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyl-2-oxolanyl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(h
OPENEYE Name: (2S,3R,4S,5R)-2-[(2R,3R,4S,5S,6R)-2-[[(6S,10R,12S,13R,14R)-3,12-dihydroxy-17-[(2S,5S)-5-(1-hydroxy-1-methyl-ethyl)-2-methyl-tetrahydrofuran-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-d
IUPAC Name: (2S,3R,4S,5R)-2-[(2R,3R,4S,5S,6R)-2-[[(6S,10R,12S,13R,14R)-3,12-dihydroxy-17-[(2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hy
SYSTEMATIC NAME: (2S,3R,4S,5R)-2-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-2-[[(6S,10R,12S,13R,14R)-4,4,10,13,14-pentamethyl-17-[(2S,5S)-2-methyl-5-(2-oxidanylpropan-2-yl)oxolan-2-yl]-3,12-bis(oxidanyl)-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]
MOLECULAR FORMULA: C41H70O14
MOLECULAR WEIGHT: 786.9861
SMILES: C[C@]1(CC[C@H](O1)C(C)(C)O)C2CC[C@]3([C@@]2([C@H](CC4C3C[C@@H](C5[C@@]4(CCC(C5(C)C)O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O)C)C
CAS RN: 84505-77-1
CAS Name: [[(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methoxy-oxomethyl]sulfamic acid
OPENEYE Name: [(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methoxycarbonylsulfamic acid
IUPAC Name: [(3aS,4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methoxycarbonylsulfamic acid
SYSTEMATIC NAME: [(3aS,4R,9S,10aS)-2,6-bis(azanyl)-10,10-bis(oxidanyl)-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methoxycarbonylsulfamic acid
MOLECULAR FORMULA: C10H17N7O11S2
MOLECULAR WEIGHT: 475.41228
SMILES: C1[C@@H](C([C@@]23N1C(=N[C@H]([C@@H]2N=C(N3)N)COC(=O)NS(=O)(=O)O)N)(O)O)OS(=O)(=O)O
CAS RN: 81172-05-6
CAS Name: 1-[(3-iodo-1H-indol-4-yl)oxy]-3-(propan-2-ylamino)-2-propanol
OPENEYE Name: 1-[(3-iodo-1H-indol-4-yl)oxy]-3-(isopropylamino)propan-2-ol
IUPAC Name: 1-[(3-iodo-1H-indol-4-yl)oxy]-3-(propan-2-ylamino)propan-2-ol
SYSTEMATIC NAME: 1-[(3-iodanyl-1H-indol-4-yl)oxy]-3-(propan-2-ylamino)propan-2-ol
MOLECULAR FORMULA: C14H19IN2O2
MOLECULAR WEIGHT: 374.21733
SMILES: CC(C)NCC(COC1=CC=CC2=C1C(=CN2)I)O
CAS RN: 79285-15-7
CAS Name: carbamic acid [(3aS,4R,10R)-2,6-diamino-10-hydroxy-1,3a,4,8,9,10-hexahydropyrrolo[1,2-c]purin-4-yl]methyl ester
OPENEYE Name: [(3aS,4R,10R)-2,6-diamino-10-hydroxy-1,3a,4,8,9,10-hexahydropyrrolo[1,2-c]purin-4-yl]methyl carbamate
IUPAC Name: [(3aS,4R,10R)-2,6-diamino-10-hydroxy-1,3a,4,8,9,10-hexahydropyrrolo[1,2-c]purin-4-yl]methyl carbamate
SYSTEMATIC NAME: [(3aS,4R,10R)-2,6-bis(azanyl)-10-oxidanyl-1,3a,4,8,9,10-hexahydropyrrolo[1,2-c]purin-4-yl]methyl carbamate
MOLECULAR FORMULA: C10H17N7O3
MOLECULAR WEIGHT: 283.28708
SMILES: C1CN2C(=N[C@H]([C@H]3C2([C@@H]1O)NC(=N3)N)COC(=O)N)N
CAS RN: 774-05-0
CAS Name: 10-hydroxy-5-methoxy-2-[(2R)-2-methyl-2-oxiranyl]-1,2-dihydrofuro[2,3-c]xanthen-6-one
OPENEYE Name: 10-hydroxy-5-methoxy-2-[(2R)-2-methyloxiran-2-yl]-1,2-dihydrofuro[2,3-c]xanthen-6-one
IUPAC Name: 10-hydroxy-5-methoxy-2-[(2R)-2-methyloxiran-2-yl]-1,2-dihydrofuro[2,3-c]xanthen-6-one
SYSTEMATIC NAME: 5-methoxy-2-[(2R)-2-methyloxiran-2-yl]-10-oxidanyl-1,2-dihydrofuro[2,3-c]xanthen-6-one
MOLECULAR FORMULA: C19H16O6
MOLECULAR WEIGHT: 340.32674
SMILES: C[C@@]1(CO1)C2CC3=C4C(=C(C=C3O2)OC)C(=O)C5=C(O4)C(=CC=C5)O
CAS RN: 7629-91-6
CAS Name: 17-(2-iodoethynyl)-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
OPENEYE Name: 17-(2-iodoethynyl)-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
IUPAC Name: 17-(2-iodoethynyl)-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
SYSTEMATIC NAME: 17-(2-iodanylethynyl)-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
MOLECULAR FORMULA: C21H25IO3
MOLECULAR WEIGHT: 452.32587
SMILES: CC12CC(C3C(C1CCC2(C#CI)O)CCC4=C3C=CC(=C4)O)OC
CAS RN: 7399-64-6
CAS Name: (2R)-2-[(2S,3S,4R,5R,6S)-6-[[(1R,2R,3R,6R,7R,9S)-3-[5-[(2R,5R)-5-[(3S,5R,6S)-6-hydroxy-3,5,6-trimethyl-2-oxanyl]-2-oxolanyl]-2-oxolanyl]-2,7-dimethoxy-1,3,6-trimethyl-4,10-dioxaspiro[4.5]decan-9-yl]methyl]-4-[[(2S,5S,6R)-5-methoxy-6-methyl-2-oxanyl]oxy]-3
OPENEYE Name: (2R)-2-[(2S,3S,4R,5R,6S)-6-[[(1R,2R,3R,6R,7R,9S)-3-[5-[(2R,5R)-5-[(3S,5R,6S)-6-hydroxy-3,5,6-trimethyl-tetrahydropyran-2-yl]tetrahydrofuran-2-yl]tetrahydrofuran-2-yl]-2,7-dimethoxy-1,3,6-trimethyl-4,10-dioxaspiro[4.5]decan-9-yl]methyl]-4-[(2S,5S,6R)-5-met
IUPAC Name: (2R)-2-[(2S,3S,4R,5R,6S)-6-[[(1R,2R,3R,6R,7R,9S)-3-[5-[(2R,5R)-5-[(3S,5R,6S)-6-hydroxy-3,5,6-trimethyloxan-2-yl]oxolan-2-yl]oxolan-2-yl]-2,7-dimethoxy-1,3,6-trimethyl-4,10-dioxaspiro[4.5]decan-9-yl]methyl]-4-[(2S,5S,6R)-5-methoxy-6-methyloxan-2-yl]oxy-3,5
SYSTEMATIC NAME: (2R)-2-[(2S,3S,4R,5R,6S)-6-[[(1R,2R,3R,6R,7R,9S)-2,7-dimethoxy-1,3,6-trimethyl-3-[5-[(2R,5R)-5-[(3S,5R,6S)-3,5,6-trimethyl-6-oxidanyl-oxan-2-yl]oxolan-2-yl]oxolan-2-yl]-4,10-dioxaspiro[4.5]decan-9-yl]methyl]-4-[(2S,5S,6R)-5-methoxy-6-methyl-oxan-2-yl]oxy-
MOLECULAR FORMULA: C47H80O15
MOLECULAR WEIGHT: 885.1291
SMILES: C[C@H]1C[C@H]([C@@](OC1[C@H]2CC[C@@H](O2)C3CCC(O3)[C@@]4([C@@H]([C@H](C5(O4)[C@@H]([C@@H](C[C@H](O5)C[C@H]6[C@H]([C@H]([C@H]([C@H](O6)[C@@H](C)C(=O)OO)C)O[C@@H]7CC[C@@H]([C@H](O7)C)OC)C)OC)C)C)OC)C)(C)O)C
CAS RN: 7150-64-3
CAS Name: 4-[(3S,5R,8R,9S,10S,13R,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-3-methylene-2-oxolanone
OPENEYE Name: 4-[(3S,5R,8R,9S,10S,13R,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-3-methylene-tetrahydrofuran-2-one
IUPAC Name: 4-[(3S,5R,8R,9S,10S,13R,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-3-methylideneoxolan-2-one
SYSTEMATIC NAME: 4-[(3S,5R,8R,9S,10S,13R,17R)-10,13-dimethyl-3,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-3-methylidene-oxolan-2-one
MOLECULAR FORMULA: C24H36O4
MOLECULAR WEIGHT: 388.54024
SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4(C3(CC[C@@H]4C5COC(=O)C5=C)O)C)O
CAS RN: 67905-42-4
CAS Name: (3aR,6S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
OPENEYE Name: (3aR,6S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
IUPAC Name: (3aR,6S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
SYSTEMATIC NAME: (3aR,6S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
MOLECULAR FORMULA: C12H20O6
MOLECULAR WEIGHT: 260.2836
SMILES: CC1(OC[C@H](O1)C2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)O)C
CAS RN: 6627-69-6
CAS Name: 2-[18-[2-[14-(2-eicosylcyclopropyl)tetradecyl]cyclopropyl]-1-hydroxyoctadecyl]hexacosanoic acid [6-[[6-[[2-[18-[2-[14-(2-eicosylcyclopropyl)tetradecyl]cyclopropyl]-1-hydroxyoctadecyl]-1-oxohexacosoxy]methyl]-3,4,5-trihydroxy-2-oxanyl]oxy]-3,4,5-trihydroxy
OPENEYE Name: [3,4,5-trihydroxy-6-[3,4,5-trihydroxy-6-[2-[1-hydroxy-18-[2-[14-(2-icosylcyclopropyl)tetradecyl]cyclopropyl]octadecyl]hexacosanoyloxymethyl]tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]methyl 2-[1-hydroxy-18-[2-[14-(2-icosylcyclopropyl)tetradecyl]cyclopr
IUPAC Name: [3,4,5-trihydroxy-6-[3,4,5-trihydroxy-6-[2-[1-hydroxy-18-[2-[14-(2-icosylcyclopropyl)tetradecyl]cyclopropyl]octadecyl]hexacosanoyloxymethyl]oxan-2-yl]oxyoxan-2-yl]methyl 2-[1-hydroxy-18-[2-[14-(2-icosylcyclopropyl)tetradecyl]cyclopropyl]octadecyl]hexacosa
SYSTEMATIC NAME: [6-[6-[2-[18-[2-[14-(2-icosylcyclopropyl)tetradecyl]cyclopropyl]-1-oxidanyl-octadecyl]hexacosanoyloxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methyl 2-[18-[2-[14-(2-icosylcyclopropyl)tetradecyl]cyclopropyl]-1-oxidanyl-octade
MOLECULAR FORMULA: C180H346O15
MOLECULAR WEIGHT: 2750.66424
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCC2CC2CCCCCCCCCCCCCCCCCCCC)O)C(=O)OCC3C(C(C(C(O3)OC4C(C(C(C(O4)COC(=O)C(CCCCCCCCCCCCCCCCCCCCCCCC)C(CCCCCCCCCCCCCCCCCC5CC5CCCCCCCCCCCCCCC6CC6CCCCCCCCCCCCCCCCCCCC)O)O)O)O)O)O)O
CAS RN: 65144-02-7
CAS Name: neptunium dihydrate
OPENEYE Name: neptunium dihydrate
IUPAC Name: neptunium dihydrate
SYSTEMATIC NAME: neptunium dihydrate
MOLECULAR FORMULA: H4NpO2
MOLECULAR WEIGHT: 273.078727
SMILES: O.O.[Np]
CAS RN: 64041-57-2
CAS Name: (1-hydroxy-1-phosphonoethyl)phosphonic acid; technetium
OPENEYE Name: (1-hydroxy-1-phosphono-ethyl)phosphonic acid; technetium
IUPAC Name: (1-hydroxy-1-phosphonoethyl)phosphonic acid; technetium
SYSTEMATIC NAME: (1-oxidanyl-1-phosphono-ethyl)phosphonic acid; technetium
MOLECULAR FORMULA: C2H8O7P2Tc
MOLECULAR WEIGHT: 303.935458
SMILES: CC(O)(P(=O)(O)O)P(=O)(O)O.[Tc]
CAS RN: 63992-00-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H24O5
MOLECULAR WEIGHT: 332.39086
SMILES: C/C=C/C(=O)OC1CC2[C@@]3(C1(C4(CC(=O)C(=CC4O2)C)C)C)CO3
CAS RN: 63834-09-3
CAS Name: carbonic acid [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] [(E)-3-phenylprop-2-enyl] ester
OPENEYE Name: [(E)-cinnamyl] [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbonate
IUPAC Name: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] [(E)-3-phenylprop-2-enyl] carbonate
SYSTEMATIC NAME: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] [(E)-3-phenylprop-2-enyl] carbonate
MOLECULAR FORMULA: C37H54O3
MOLECULAR WEIGHT: 546.82286
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)OC/C=C/C5=CC=CC=C5)C)C
CAS RN: 63449-88-7
CAS Name: methanesulfonic acid [(2R)-3-[(2S,3R)-3-(methylsulfonyloxymethyl)-2-oxiranyl]-2-oxiranyl]methyl ester
OPENEYE Name: [(2R)-3-[(2S,3R)-3-(methylsulfonyloxymethyl)oxiran-2-yl]oxiran-2-yl]methyl methanesulfonate
IUPAC Name: [(2R)-3-[(2S,3R)-3-(methylsulfonyloxymethyl)oxiran-2-yl]oxiran-2-yl]methyl methanesulfonate
SYSTEMATIC NAME: [(2R)-3-[(2S,3R)-3-(methylsulfonyloxymethyl)oxiran-2-yl]oxiran-2-yl]methyl methanesulfonate
MOLECULAR FORMULA: C8H14O8S2
MOLECULAR WEIGHT: 302.32196
SMILES: CS(=O)(=O)OC[C@@H]1[C@H](O1)C2[C@H](O2)COS(=O)(=O)C
CAS RN: 63427-32-7
CAS Name: 6-[(5R)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one iodide
OPENEYE Name: 6-[(5R)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one iodide
IUPAC Name: 6-[(5R)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one iodide
SYSTEMATIC NAME: 6-[(5R)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one iodide
MOLECULAR FORMULA: C21H20INO6
MOLECULAR WEIGHT: 509.29107
SMILES: C[N+]1(CCC2=CC3=C(C=C2[C@@H]1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3)C.[I-]
CAS RN: 6335-86-0
CAS Name: (3S,8S,9S,10R,13S,14S)-10,13-dimethyl-17-[(2R)-2-methyl-3-(3-methylbutyl)-2-oxiranyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
OPENEYE Name: (3S,8S,9S,10R,13S,14S)-17-[(2R)-3-isopentyl-2-methyl-oxiran-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
IUPAC Name: (3S,8S,9S,10R,13S,14S)-10,13-dimethyl-17-[(2R)-2-methyl-3-(3-methylbutyl)oxiran-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
SYSTEMATIC NAME: (3S,8S,9S,10R,13S,14S)-10,13-dimethyl-17-[(2R)-2-methyl-3-(3-methylbutyl)oxiran-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
MOLECULAR FORMULA: C27H44O2
MOLECULAR WEIGHT: 400.63706
SMILES: CC(C)CCC1[C@@](O1)(C)C2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C
CAS RN: 6309-44-0
CAS Name: (2E)-2-(3-methylcyclohexylidene)-2-phenylacetic acid
OPENEYE Name: (2E)-2-(3-methylcyclohexylidene)-2-phenyl-acetic acid
IUPAC Name: (2E)-2-(3-methylcyclohexylidene)-2-phenylacetic acid
SYSTEMATIC NAME: (2E)-2-(3-methylcyclohexylidene)-2-phenyl-ethanoic acid
MOLECULAR FORMULA: C15H18O2
MOLECULAR WEIGHT: 230.30222
SMILES: CC1CCC/C(=C(/C2=CC=CC=C2)\C(=O)O)/C1
CAS RN: 6282-64-0
CAS Name: [(3Z,5Z)-4,6-dioxo-3,5-bis(phenylhydrazinylidene)-1-cyclohexenyl]arsonic acid
OPENEYE Name: [(3Z,5Z)-4,6-dioxo-3,5-bis(phenylhydrazono)cyclohexen-1-yl]arsonic acid
IUPAC Name: [(3Z,5Z)-4,6-dioxo-3,5-bis(phenylhydrazinylidene)cyclohexen-1-yl]arsonic acid
SYSTEMATIC NAME: [(3Z,5Z)-4,6-bis(oxidanylidene)-3,5-bis(phenylhydrazinylidene)cyclohexen-1-yl]arsonic acid
MOLECULAR FORMULA: C18H15AsN4O5
MOLECULAR WEIGHT: 442.2571
SMILES: C1=CC=C(C=C1)N/N=C\2/C=C(C(=O)/C(=N\NC3=CC=CC=C3)/C2=O)[As](=O)(O)O
CAS RN: 62258-12-2
CAS Name: carbamic acid [(3aS,4R,9R)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl ester
OPENEYE Name: [(3aS,4R,9R)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
IUPAC Name: [(3aS,4R,9R)-2,6-diamino-10,10-dihydroxy-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
SYSTEMATIC NAME: [(3aS,4R,9R)-2,6-bis(azanyl)-10,10-bis(oxidanyl)-9-sulfooxy-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-4-yl]methyl carbamate
MOLECULAR FORMULA: C10H17N7O8S
MOLECULAR WEIGHT: 395.34908
SMILES: C1[C@H](C(C23N1C(=N[C@H]([C@@H]2N=C(N3)N)COC(=O)N)N)(O)O)OS(=O)(=O)O
CAS RN: 6122-88-9
CAS Name: acetic acid; 3-(chloromethoxy)propylmercury
OPENEYE Name: acetic acid; 3-(chloromethoxy)propylmercury
IUPAC Name: acetic acid; 3-(chloromethoxy)propylmercury
SYSTEMATIC NAME: 3-(chloromethyloxy)propylmercury; ethanoic acid
MOLECULAR FORMULA: C6H12ClHgO3
MOLECULAR WEIGHT: 368.20068
SMILES: CC(=O)O.C(COCCl)C[Hg]
CAS RN: 6122-51-6
CAS Name: (4R)-4-(1,3-dioxolan-4-yl)-1,3-dioxolane
OPENEYE Name: (4R)-4-(1,3-dioxolan-4-yl)-1,3-dioxolane
IUPAC Name: (4R)-4-(1,3-dioxolan-4-yl)-1,3-dioxolane
SYSTEMATIC NAME: (4R)-4-(1,3-dioxolan-4-yl)-1,3-dioxolane
MOLECULAR FORMULA: C6H10O4
MOLECULAR WEIGHT: 146.1412
SMILES: C1[C@@H](OCO1)C2COCO2
No comments:
Post a Comment