CAS RN: 31551-28-7
CAS Name: (Z)-2-methyl-2-pentenenitrile
OPENEYE Name: (Z)-2-methylpent-2-enenitrile
IUPAC Name: (Z)-2-methylpent-2-enenitrile
SYSTEMATIC NAME: (Z)-2-methylpent-2-enenitrile
MOLECULAR FORMULA: C6H9N
MOLECULAR WEIGHT: 95.14236
SMILES: CC/C=C(/C)\C#N
Structure:
CAS RN: 999-40-6
CAS Name: butanoic acid [(2Z)-3,7-dimethylocta-2,6-dienyl] ester
OPENEYE Name: [(2Z)-3,7-dimethylocta-2,6-dienyl] butanoate
IUPAC Name: [(2Z)-3,7-dimethylocta-2,6-dienyl] butanoate
SYSTEMATIC NAME: [(2Z)-3,7-dimethylocta-2,6-dienyl] butanoate
MOLECULAR FORMULA: C14H24O2
MOLECULAR WEIGHT: 224.33916
SMILES: CCCC(=O)OC/C=C(/C)\CCC=C(C)C
Structure:
CAS RN: 40334-70-1
CAS Name: tris[(E)-2-chloroethenyl]arsine
OPENEYE Name: tris[(E)-2-chlorovinyl]arsane
IUPAC Name: tris[(E)-2-chloroethenyl]arsane
SYSTEMATIC NAME: tris[(E)-2-chloranylethenyl]arsane
MOLECULAR FORMULA: C6H6AsCl3
MOLECULAR WEIGHT: 259.39244
SMILES: C(=C/[As](/C=C/Cl)/C=C/Cl)\Cl
Structure:
CAS RN: 4951-40-0
CAS Name: (E)-3-(2,6,6-trimethyl-1-cyclohexenyl)-2-propenal
OPENEYE Name: (E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enal
IUPAC Name: (E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enal
SYSTEMATIC NAME: (E)-3-(2,6,6-trimethylcyclohexen-1-yl)prop-2-enal
MOLECULAR FORMULA: C12H18O
MOLECULAR WEIGHT: 178.27072
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C=O
Structure:
CAS RN: 53771-60-1
CAS Name: acetic acid [(5E)-3,7-dimethylocta-1,5,7-trien-3-yl] ester
OPENEYE Name: [(3E)-1,5-dimethyl-1-vinyl-hexa-3,5-dienyl] acetate
IUPAC Name: [(5E)-3,7-dimethylocta-1,5,7-trien-3-yl] acetate
SYSTEMATIC NAME: [(5E)-3,7-dimethylocta-1,5,7-trien-3-yl] ethanoate
MOLECULAR FORMULA: C12H18O2
MOLECULAR WEIGHT: 194.27012
SMILES: CC(=C)/C=C/CC(C)(C=C)OC(=O)C
Structure:
CAS RN: 84788-04-5
CAS Name: acetic acid [(5E)-3,7-dimethylocta-1,5,7-trien-3-yl] ester
OPENEYE Name: [(3E)-1,5-dimethyl-1-vinyl-hexa-3,5-dienyl] acetate
IUPAC Name: [(5E)-3,7-dimethylocta-1,5,7-trien-3-yl] acetate
SYSTEMATIC NAME: [(5E)-3,7-dimethylocta-1,5,7-trien-3-yl] ethanoate
MOLECULAR FORMULA: C12H18O2
MOLECULAR WEIGHT: 194.27012
SMILES: CC(=C)/C=C/CC(C)(C=C)OC(=O)C
Structure:
CAS RN: 41575-94-4
CAS Name: ammonia; cyclobutane-1,1-dicarboxylic acid; platinum(2+)
OPENEYE Name: ammonia; cyclobutane-1,1-dicarboxylic acid; platinum(2+)
IUPAC Name: azane; cyclobutane-1,1-dicarboxylic acid; platinum(2+)
SYSTEMATIC NAME: azane; cyclobutane-1,1-dicarboxylic acid; platinum(2+)
MOLECULAR FORMULA: C6H14N2O4Pt+2
MOLECULAR WEIGHT: 373.26436
SMILES: C1CC(C1)(C(=O)O)C(=O)O.N.N.[Pt+2]
Structure:
CAS RN: 70903-55-8
CAS Name: ammonia; cyclobutane-1,1-dicarboxylic acid; platinum(2+)
OPENEYE Name: ammonia; cyclobutane-1,1-dicarboxylic acid; platinum(2+)
IUPAC Name: azane; cyclobutane-1,1-dicarboxylic acid; platinum(2+)
SYSTEMATIC NAME: azane; cyclobutane-1,1-dicarboxylic acid; platinum(2+)
MOLECULAR FORMULA: C6H14N2O4Pt+2
MOLECULAR WEIGHT: 373.26436
SMILES: C1CC(C1)(C(=O)O)C(=O)O.N.N.[Pt+2]
Structure:
CAS RN: 184104-63-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C46H78O17
MOLECULAR WEIGHT: 903.10132
SMILES: CC1C(C(C(C(O1)O[C@H]2C[C@@H]([C@]34C[C@]35CC[C@@]6(C(CC[C@]6(C5[C@H](CC4C2(C)C)O)C)[C@H](C)CC[C@@H](C(C)(C)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)O)O)C)O)O)O)O
Structure:
CAS RN: 184104-62-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H72O14
MOLECULAR WEIGHT: 801.01268
SMILES: CC1C(C(C(C(O1)O[C@H]2C[C@@H]([C@]34C[C@]35CC[C@@]6(C(CC[C@]6(C5[C@H](CC4C2(C)C)O)C)[C@H](C)CC[C@@H](C(C)(C)OC7C(C(C(C(O7)CO)O)O)O)O)C)O)O)O)O
Structure:
CAS RN: 184104-60-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H70O13
MOLECULAR WEIGHT: 770.9867
SMILES: CC1C(C(C(C(O1)O[C@H]2C[C@@H]([C@]34C[C@]35CC[C@@]6(C(CC[C@]6(C5[C@H](CC4C2(C)C)O)C)[C@H](C)CC[C@@H](C(C)(C)O)OC7C(C(C(CO7)O)O)O)C)O)O)O)O
Structure:
CAS RN: 444987-63-7
CAS Name: sulfuric acid [3-[[2-[4-[(5aR,6S,7S,9aS)-6-hydroxy-2,2,5a,7-tetramethyl-4,5,7,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]butyl]-4-hydroxy-2,6,6-trimethyl-5-bicyclo[2.2.2]octanyl]methyl]-4-hydroxyphenyl] ester
OPENEYE Name: [3-[[2-[4-[(5aR,6S,7S,9aS)-6-hydroxy-2,2,5a,7-tetramethyl-4,5,7,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]butyl]-4-hydroxy-2,6,6-trimethyl-5-bicyclo[2.2.2]octanyl]methyl]-4-hydroxy-phenyl] hydrogen sulfate
IUPAC Name: [3-[[2-[4-[(5aR,6S,7S,9aS)-6-hydroxy-2,2,5a,7-tetramethyl-4,5,7,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]butyl]-4-hydroxy-2,6,6-trimethyl-5-bicyclo[2.2.2]octanyl]methyl]-4-hydroxyphenyl] hydrogen sulfate
SYSTEMATIC NAME: [3-[[2-[4-[(5aR,6S,7S,9aS)-2,2,5a,7-tetramethyl-6-oxidanyl-4,5,7,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]butyl]-2,6,6-trimethyl-4-oxidanyl-5-bicyclo[2.2.2]octanyl]methyl]-4-oxidanyl-phenyl] hydrogen sulfate
MOLECULAR FORMULA: C36H58O8S
MOLECULAR WEIGHT: 650.90592
SMILES: C[C@H]1CC[C@H]2[C@]([C@@]1(CCCCC3(CC4(CCC3C(C4CC5=C(C=CC(=C5)OS(=O)(=O)O)O)(C)C)O)C)O)(CCCC(O2)(C)C)C
Structure:
CAS RN: 83608-86-0
CAS Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-propenamide
OPENEYE Name: (E)-3-(4-hydroxy-3-methoxy-phenyl)-N-[2-(4-hydroxy-3-methoxy-phenyl)ethyl]prop-2-enamide
IUPAC Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]prop-2-enamide
SYSTEMATIC NAME: (E)-3-(3-methoxy-4-oxidanyl-phenyl)-N-[2-(3-methoxy-4-oxidanyl-phenyl)ethyl]prop-2-enamide
MOLECULAR FORMULA: C19H21NO5
MOLECULAR WEIGHT: 343.37374
SMILES: COC1=C(C=CC(=C1)CCNC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O
Structure:
CAS RN: 272771-18-3
CAS Name: 4-hydroxybenzoic acid [(1S,3R,5R,6aS,7R,8R,10aS)-1,3,5-triacetyloxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d]isobenzofuran-10-yl] ester
OPENEYE Name: [(1S,3R,5R,6aS,7R,8R,10aS)-1,3,5-triacetoxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d]isobenzofuran-10-yl] 4-hydroxybenzoate
IUPAC Name: [(1S,3R,5R,6aS,7R,8R,10aS)-1,3,5-triacetyloxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-10-yl] 4-hydroxybenzoate
SYSTEMATIC NAME: [(1S,3R,5R,6aS,7R,8R,10aS)-1,3,5-triacetyloxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-10-yl] 4-oxidanylbenzoate
MOLECULAR FORMULA: C33H40O10
MOLECULAR WEIGHT: 596.6647
SMILES: C[C@@H]1CC([C@]23[C@H]([C@]1(C)C/C=C(\C)/C=C)C[C@H](C=C2[C@H](O[C@H]3OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C4=CC=C(C=C4)O
Structure:
CAS RN: 272771-15-0
CAS Name: 4-hydroxy-3-methoxybenzoic acid [(1S,3R,5R,6aS,7R,8R,10aS)-1,3-diacetyloxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d]isobenzofuran-5-yl] ester
OPENEYE Name: [(1S,3R,5R,6aS,7R,8R,10aS)-1,3-diacetoxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d]isobenzofuran-5-yl] 4-hydroxy-3-methoxy-benzoate
IUPAC Name: [(1S,3R,5R,6aS,7R,8R,10aS)-1,3-diacetyloxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] 4-hydroxy-3-methoxybenzoate
SYSTEMATIC NAME: [(1S,3R,5R,6aS,7R,8R,10aS)-1,3-diacetyloxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] 3-methoxy-4-oxidanyl-benzoate
MOLECULAR FORMULA: C32H40O9
MOLECULAR WEIGHT: 568.6546
SMILES: C[C@@H]1CC[C@]23[C@H]([C@]1(C)C/C=C(\C)/C=C)C[C@H](C=C2[C@H](O[C@H]3OC(=O)C)OC(=O)C)OC(=O)C4=CC(=C(C=C4)O)OC
Structure:
CAS RN: 272771-14-9
CAS Name: 4-hydroxybenzoic acid [(1S,3R,5R,6aS,7R,8R,10aS)-1,3-diacetyloxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d]isobenzofuran-5-yl] ester
OPENEYE Name: [(1S,3R,5R,6aS,7R,8R,10aS)-1,3-diacetoxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d]isobenzofuran-5-yl] 4-hydroxybenzoate
IUPAC Name: [(1S,3R,5R,6aS,7R,8R,10aS)-1,3-diacetyloxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] 4-hydroxybenzoate
SYSTEMATIC NAME: [(1S,3R,5R,6aS,7R,8R,10aS)-1,3-diacetyloxy-7,8-dimethyl-7-[(2E)-3-methylpenta-2,4-dienyl]-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-5-yl] 4-oxidanylbenzoate
MOLECULAR FORMULA: C31H38O8
MOLECULAR WEIGHT: 538.62862
SMILES: C[C@@H]1CC[C@]23[C@H]([C@]1(C)C/C=C(\C)/C=C)C[C@H](C=C2[C@H](O[C@H]3OC(=O)C)OC(=O)C)OC(=O)C4=CC=C(C=C4)O
Structure:
CAS RN: 217476-94-3
CAS Name: 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-[(E)-2-[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxyphenyl]ethenyl]benzene-1,2-diol
OPENEYE Name: 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-[(E)-2-[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxy-phenyl]vinyl]benzene-1,2-diol
IUPAC Name: 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-[(E)-2-[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxyphenyl]ethenyl]benzene-1,2-diol
SYSTEMATIC NAME: 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-[(E)-2-[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-bis(oxidanyl)phenyl]ethenyl]benzene-1,2-diol
MOLECULAR FORMULA: C34H44O4
MOLECULAR WEIGHT: 516.71076
SMILES: CC(=CCC/C(=C/CC1=C(C(=CC(=C1)/C=C/C2=CC(=C(C(=C2)O)C/C=C(\C)/CCC=C(C)C)O)O)O)/C)C
Structure:
CAS RN: 74683-11-7
CAS Name: 4-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]benzene-1,2-diol
OPENEYE Name: 4-[(4E)-1,5,9-trimethyl-1-vinyl-deca-4,8-dienyl]benzene-1,2-diol
IUPAC Name: 4-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]benzene-1,2-diol
SYSTEMATIC NAME: 4-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]benzene-1,2-diol
MOLECULAR FORMULA: C21H30O2
MOLECULAR WEIGHT: 314.4617
SMILES: CC(=CCC/C(=C/CCC(C)(C=C)C1=CC(=C(C=C1)O)O)/C)C
Structure:
CAS RN: 128517-07-7
CAS Name: (1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone
OPENEYE Name: (1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-diisopropyl-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone
IUPAC Name: (1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone
SYSTEMATIC NAME: (1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone
MOLECULAR FORMULA: C24H36N4O6S2
MOLECULAR WEIGHT: 540.69584
SMILES: C/C=C\1/C(=O)N[C@H](C(=O)O[C@H]\2CC(=O)N[C@@H](C(=O)N[C@H](CSSCC/C=C2)C(=O)N1)C(C)C)C(C)C
Structure:
CAS RN: 559-70-6
CAS Name: (3S,6aR,6bS,8aR,12aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol
OPENEYE Name: (3S,6aR,6bS,8aR,12aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol
IUPAC Name: (3S,6aR,6bS,8aR,12aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol
SYSTEMATIC NAME: (3S,6aR,6bS,8aR,12aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol
MOLECULAR FORMULA: C30H50O
MOLECULAR WEIGHT: 426.7174
SMILES: C[C@@]12CC[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CC[C@@H](C5(C)C)O)C)C)[C@@H]1CC(CC2)(C)C)C
Structure:
CAS RN: 138605-82-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C54H76N2O11
MOLECULAR WEIGHT: 929.18804
SMILES: C[C@@H]1[C@]2([C@@H](C[C@@](O2)(C)CO)O)O[C@@H]3[C@]1([C@]4([C@@H](C[C@H]5[C@H](C4=C3)CC[C@@H]6[C@@]5(CC7=NC8=C(C[C@]9([C@H](C8)CC[C@@H]1[C@@H]9C[C@H]([C@]2(C1=C[C@H]1[C@@]2([C@@H](C2(O1)CC[C@](CO2)(C)O)C)O)C)O)C)N=C7C6)C)O)C)O
Structure:
CAS RN: 102580-64-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C45H68O17
MOLECULAR WEIGHT: 881.01122
SMILES: CCCC(=O)O[C@H]1C[C@H]2C[C@H](CC(=O)O[C@H](C[C@@H]3C/C(=C\C(=O)OC)/[C@@H]([C@@](O3)(C(/C=C/[C@H]4C/C(=C\C(=O)OC)/C[C@H](O4)C[C@@](C1(C)C)(O2)O)(C)C)O)OC(=O)CCC)[C@@H](C)O)O
Structure:
CAS RN: 116199-48-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C54H74N2O11
MOLECULAR WEIGHT: 927.17216
SMILES: C[C@H]1[C@H]2CC=C3[C@]2(CO[C@@]14[C@@H](CC(O4)(C)C)O)C(=O)C[C@]5([C@H]3CC[C@@H]6[C@@]5(CC7=NC8=C(C[C@]9([C@H](C8)CC[C@@H]1[C@@H]9C[C@H]([C@]2(C1=C[C@H]1[C@@]2([C@@H]([C@@]2(O1)[C@@H](C[C@@](O2)(C)CO)O)C)O)C)O)C)N=C7C6)C)O
Structure:
CAS RN: 72509-61-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H40N2O5
MOLECULAR WEIGHT: 556.6918
SMILES: CC[C@H]1[C@H]2C(NC(=O)[C@@]23[C@@H](/C=C/C[C@@H](/C=C(/[C@H](C(=O)/C=C/C3=O)O)\C)C)[C@H]4[C@@]1(O4)C)[C@H](C)C5=CNC6=CC=CC=C65
Structure:
CAS RN: 22697-65-0
CAS Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-3,6-dimethoxy-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-3,6-dimethoxy-chromen-4-one
IUPAC Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-3,6-dimethoxychromen-4-one
SYSTEMATIC NAME: 2-(4-hydroxyphenyl)-3,6-dimethoxy-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C17H14O7
MOLECULAR WEIGHT: 330.28886
SMILES: COC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)OC)O
Structure:
CAS RN: 59795-94-7
CAS Name: 2-methoxy-3,5-dimethyl-6-[(4Z)-4-[(2E,4E,6E)-2,4,6-trimethyl-7-(4-nitrophenyl)hepta-2,4,6-trienylidene]-2-oxolanyl]-4-pyranone
OPENEYE Name: 2-methoxy-3,5-dimethyl-6-[(4Z)-4-[(2E,4E,6E)-2,4,6-trimethyl-7-(4-nitrophenyl)hepta-2,4,6-trienylidene]tetrahydrofuran-2-yl]pyran-4-one
IUPAC Name: 2-methoxy-3,5-dimethyl-6-[(4Z)-4-[(2E,4E,6E)-2,4,6-trimethyl-7-(4-nitrophenyl)hepta-2,4,6-trienylidene]oxolan-2-yl]pyran-4-one
SYSTEMATIC NAME: 2-methoxy-3,5-dimethyl-6-[(4Z)-4-[(2E,4E,6E)-2,4,6-trimethyl-7-(4-nitrophenyl)hepta-2,4,6-trienylidene]oxolan-2-yl]pyran-4-one
MOLECULAR FORMULA: C28H31NO6
MOLECULAR WEIGHT: 477.54884
SMILES: CC1=C(OC(=C(C1=O)C)OC)C2C/C(=C/C(=C/C(=C/C(=C/C3=CC=C(C=C3)[N+](=O)[O-])/C)/C)/C)/CO2
Structure:
CAS RN: 35470-61-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H28O3
MOLECULAR WEIGHT: 316.43452
SMILES: C[C@@]12CC(=O)[C@H](C([C@H]1CC[C@@]34[C@H]2CC(=O)[C@@](C3)(C=C4)C)(C)C)O
Structure:
CAS RN: 33069-62-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C47H51NO14
MOLECULAR WEIGHT: 853.90614
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)O)C)OC(=O)C
Structure:
CAS RN: 157069-30-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C47H51NO14
MOLECULAR WEIGHT: 853.90614
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)O)C)OC(=O)C
Structure:
CAS RN: 17278-28-3
CAS Name: acetic acid [(E,6R)-6-[(3S,8S,9R,10R,13R,14S,16R,17R)-3,16-dihydroxy-4,4,9,13,14-pentamethyl-2,11-dioxo-3,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] ester
OPENEYE Name: [(E,5R)-5-[(3S,8S,9R,10R,13R,14S,16R,17R)-3,16-dihydroxy-4,4,9,13,14-pentamethyl-2,11-dioxo-3,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate
IUPAC Name: [(E,6R)-6-[(3S,8S,9R,10R,13R,14S,16R,17R)-3,16-dihydroxy-4,4,9,13,14-pentamethyl-2,11-dioxo-3,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
SYSTEMATIC NAME: [(E,6R)-2-methyl-6-oxidanyl-5-oxidanylidene-6-[(3S,8S,9R,10R,13R,14S,16R,17R)-4,4,9,13,14-pentamethyl-3,16-bis(oxidanyl)-2,11-bis(oxidanylidene)-3,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-3-en-2-yl] ethanoate
MOLECULAR FORMULA: C32H46O8
MOLECULAR WEIGHT: 558.70284
SMILES: CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3CC(=O)[C@H](C4(C)C)O)C)C)C)O)O
Structure:
CAS RN: 76650-20-9
CAS Name: (E)-3-(3,4-dimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)-2-propen-1-one
OPENEYE Name: (E)-3-(3,4-dimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-3-(3,4-dimethoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C20H22O6
MOLECULAR WEIGHT: 358.38508
SMILES: COC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2OC)OC)OC)OC
Structure:
CAS RN: 169027-60-5
CAS Name: N-[(E)-2-(4-methoxyphenyl)ethenyl]formamide
OPENEYE Name: N-[(E)-2-(4-methoxyphenyl)vinyl]formamide
IUPAC Name: N-[(E)-2-(4-methoxyphenyl)ethenyl]formamide
SYSTEMATIC NAME: N-[(E)-2-(4-methoxyphenyl)ethenyl]methanamide
MOLECULAR FORMULA: C10H11NO2
MOLECULAR WEIGHT: 177.19984
SMILES: COC1=CC=C(C=C1)/C=C/NC=O
Structure:
CAS RN: 53643-53-1
CAS Name: N-[(E)-2-(4-methoxyphenyl)ethenyl]formamide
OPENEYE Name: N-[(E)-2-(4-methoxyphenyl)vinyl]formamide
IUPAC Name: N-[(E)-2-(4-methoxyphenyl)ethenyl]formamide
SYSTEMATIC NAME: N-[(E)-2-(4-methoxyphenyl)ethenyl]methanamide
MOLECULAR FORMULA: C10H11NO2
MOLECULAR WEIGHT: 177.19984
SMILES: COC1=CC=C(C=C1)/C=C/NC=O
Structure:
CAS RN: 1245-15-4
CAS Name: 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-1-benzopyran-4-one
OPENEYE Name: 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-chromen-4-one
IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one
SYSTEMATIC NAME: 2-(3,4-dimethoxyphenyl)-3,7-dimethoxy-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C19H18O7
MOLECULAR WEIGHT: 358.34202
SMILES: COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)OC
Structure:
CAS RN: 20869-95-8
CAS Name: 5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)chromen-4-one
IUPAC Name: 5,7-dihydroxy-3-methoxy-2-(4-methoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 3-methoxy-2-(4-methoxyphenyl)-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C17H14O6
MOLECULAR WEIGHT: 314.28946
SMILES: COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC
Structure:
CAS RN: 5453-02-1
CAS Name: (E)-1-(2-hydroxy-3,4,6-trimethoxyphenyl)-3-(4-methoxyphenyl)-2-propen-1-one
OPENEYE Name: (E)-1-(2-hydroxy-3,4,6-trimethoxy-phenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
IUPAC Name: (E)-1-(2-hydroxy-3,4,6-trimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-3-(4-methoxyphenyl)-1-(3,4,6-trimethoxy-2-oxidanyl-phenyl)prop-2-en-1-one
MOLECULAR FORMULA: C19H20O6
MOLECULAR WEIGHT: 344.3585
SMILES: COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C(=C(C=C2OC)OC)OC)O
Structure:
CAS RN: 81992-85-0
CAS Name: 5-hydroxy-2-(4-hydroxyphenyl)-7-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]-3-[[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxymethyl]-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 5-hydroxy-2-(4-hydroxyphenyl)-7-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 5-hydroxy-2-(4-hydroxyphenyl)-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 2-(4-hydroxyphenyl)-7-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-[6-[[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C33H40O19
MOLECULAR WEIGHT: 740.6593
SMILES: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)C)O)O)O)C6=CC=C(C=C6)O)O)O)O)O)O)O
Structure:
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