CAS RN: 84328-12-1
CAS Name: 2-[4-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-piperazinyl]-1-cyclohepta-2,4,6-trienone
OPENEYE Name: 2-[4-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxy-ethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one
IUPAC Name: 2-[4-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one
SYSTEMATIC NAME: 2-[4-[(2S)-2-(3,4-dimethoxyphenyl)-2-oxidanyl-ethyl]piperazin-1-yl]cyclohepta-2,4,6-trien-1-one
MOLECULAR FORMULA: C21H26N2O4
MOLECULAR WEIGHT: 370.44214
SMILES: COC1=C(C=C(C=C1)[C@@H](CN2CCN(CC2)C3=CC=CC=CC3=O)O)OC
Structure:
CAS RN: 84324-68-5
CAS Name: 3-(3-oxo-6-phenylmethoxy-1,2-dihydroinden-2-yl)propanoic acid butyl ester
OPENEYE Name: butyl 3-(5-benzyloxy-1-oxo-indan-2-yl)propanoate
IUPAC Name: butyl 3-(3-oxo-6-phenylmethoxy-1,2-dihydroinden-2-yl)propanoate
SYSTEMATIC NAME: butyl 3-(3-oxidanylidene-6-phenylmethoxy-1,2-dihydroinden-2-yl)propanoate
MOLECULAR FORMULA: C23H26O4
MOLECULAR WEIGHT: 366.45014
SMILES: CCCCOC(=O)CCC1CC2=C(C1=O)C=CC(=C2)OCC3=CC=CC=C3
Structure:
CAS RN: 84304-92-7
CAS Name: (2S,3S)-3-amino-2-methyl-4-oxo-1-azetidinesulfonic acid
OPENEYE Name: (2S,3S)-3-amino-2-methyl-4-oxo-azetidine-1-sulfonic acid
IUPAC Name: (2S,3S)-3-amino-2-methyl-4-oxoazetidine-1-sulfonic acid
SYSTEMATIC NAME: (2S,3S)-3-azanyl-2-methyl-4-oxidanylidene-azetidine-1-sulfonic acid
MOLECULAR FORMULA: C4H8N2O4S
MOLECULAR WEIGHT: 180.18232
SMILES: C[C@H]1[C@@H](C(=O)N1S(=O)(=O)O)N
Structure:
CAS RN: 80072-86-2
CAS Name: (6R,7R)-3-[[(3-carboxy-4-nitrophenyl)thio]methyl]-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
OPENEYE Name: (6R,7R)-3-[(3-carboxy-4-nitro-phenyl)sulfanylmethyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
IUPAC Name: (6R,7R)-3-[(3-carboxy-4-nitrophenyl)sulfanylmethyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
SYSTEMATIC NAME: (6R,7R)-3-[(3-carboxy-4-nitro-phenyl)sulfanylmethyl]-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
MOLECULAR FORMULA: C21H17N3O8S3
MOLECULAR WEIGHT: 535.56998
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CS3)C(=O)O)CSC4=CC(=C(C=C4)[N+](=O)[O-])C(=O)O
Structure:
CAS RN: 84268-33-7
CAS Name: 1,6-dimethyl-2-oxo-5-pyridin-4-yl-3-pyridinecarbonitrile
OPENEYE Name: 1,6-dimethyl-2-oxo-5-(4-pyridyl)pyridine-3-carbonitrile
IUPAC Name: 1,6-dimethyl-2-oxo-5-pyridin-4-ylpyridine-3-carbonitrile
SYSTEMATIC NAME: 1,6-dimethyl-2-oxidanylidene-5-pyridin-4-yl-pyridine-3-carbonitrile
MOLECULAR FORMULA: C13H11N3O
MOLECULAR WEIGHT: 225.24594
SMILES: CC1=C(C=C(C(=O)N1C)C#N)C2=CC=NC=C2
Structure:
CAS RN: 84256-90-6
CAS Name: (4-methyl-3-nitrophenyl)-(1-piperazinyl)methanone
OPENEYE Name: (4-methyl-3-nitro-phenyl)-piperazin-1-yl-methanone
IUPAC Name: (4-methyl-3-nitrophenyl)-piperazin-1-ylmethanone
SYSTEMATIC NAME: (4-methyl-3-nitro-phenyl)-piperazin-1-yl-methanone
MOLECULAR FORMULA: C12H15N3O3
MOLECULAR WEIGHT: 249.2658
SMILES: CC1=C(C=C(C=C1)C(=O)N2CCNCC2)[N+](=O)[O-]
Structure:
CAS RN: 84255-15-2
CAS Name: (2S,5R,6R)-6-[(2-amino-1-oxo-2-phenylethyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 4-(dipropylsulfamoyl)benzoic acid
OPENEYE Name: (2S,5R,6R)-6-[(2-amino-2-phenyl-acetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 4-(dipropylsulfamoyl)benzoic acid
IUPAC Name: (2S,5R,6R)-6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 4-(dipropylsulfamoyl)benzoic acid
SYSTEMATIC NAME: (2S,5R,6R)-6-[(2-azanyl-2-phenyl-ethanoyl)amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 4-(dipropylsulfamoyl)benzoic acid
MOLECULAR FORMULA: C29H38N4O8S2
MOLECULAR WEIGHT: 634.76402
SMILES: CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C
Structure:
CAS RN: 84253-14-5
CAS Name: (2R)-6-chloro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran
OPENEYE Name: (2R)-6-chloro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chromane
IUPAC Name: (2R)-6-chloro-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene
SYSTEMATIC NAME: (2R)-6-chloranyl-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromene
MOLECULAR FORMULA: C29H49ClO
MOLECULAR WEIGHT: 449.15176
SMILES: CC1=C2C(=C(C(=C1C)Cl)C)CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
Structure:
CAS RN: 80038-46-6
CAS Name: 1-[3-(1-quinolin-1-iumyl)propyl]quinolin-1-ium
OPENEYE Name: 1-(3-quinolin-1-ium-1-ylpropyl)quinolin-1-ium
IUPAC Name: 1-(3-quinolin-1-ium-1-ylpropyl)quinolin-1-ium
SYSTEMATIC NAME: 1-(3-quinolin-1-ium-1-ylpropyl)quinolin-1-ium
MOLECULAR FORMULA: C21H20N2+2
MOLECULAR WEIGHT: 300.3969
SMILES: C1=CC=C2C(=C1)C=CC=[N+]2CCC[N+]3=CC=CC4=CC=CC=C43
Structure:
CAS RN: 80037-86-1
CAS Name: 4-[4-(2-carboxyethyl)-2-methyl-1H-pyrrol-3-yl]-4-oxobutanoic acid
OPENEYE Name: 4-[4-(2-carboxyethyl)-2-methyl-1H-pyrrol-3-yl]-4-oxo-butanoic acid
IUPAC Name: 4-[4-(2-carboxyethyl)-2-methyl-1H-pyrrol-3-yl]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[4-(3-hydroxy-3-oxopropyl)-2-methyl-1H-pyrrol-3-yl]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C12H15NO5
MOLECULAR WEIGHT: 253.2512
SMILES: CC1=C(C(=CN1)CCC(=O)O)C(=O)CCC(=O)O
Structure:
CAS RN: 84245-14-7
CAS Name: [1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-piperidinyl]-(1-azocanyl)methanone hydrochloride
OPENEYE Name: [1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-4-piperidyl]-(azocan-1-yl)methanone hydrochloride
IUPAC Name: [1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]-(azocan-1-yl)methanone hydrochloride
SYSTEMATIC NAME: [1-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperidin-4-yl]-(azocan-1-yl)methanone hydrochloride
MOLECULAR FORMULA: C23H34ClN5O3
MOLECULAR WEIGHT: 464.00076
SMILES: COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCC(CC3)C(=O)N4CCCCCCC4)N)OC.Cl
Structure:
CAS RN: 84210-00-4
CAS Name: (1R,2S)-2-(methylamino)-1-phenyl-1-propanol; 1,3,7-trimethylpurine-2,6-dione
OPENEYE Name: (1R,2S)-2-(methylamino)-1-phenyl-propan-1-ol; 1,3,7-trimethylpurine-2,6-dione
IUPAC Name: (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol; 1,3,7-trimethylpurine-2,6-dione
SYSTEMATIC NAME: (1R,2S)-2-(methylamino)-1-phenyl-propan-1-ol; 1,3,7-trimethylpurine-2,6-dione
MOLECULAR FORMULA: C18H25N5O3
MOLECULAR WEIGHT: 359.4228
SMILES: C[C@@H]([C@@H](C1=CC=CC=C1)O)NC.CN1C=NC2=C1C(=O)N(C(=O)N2C)C
Structure:
CAS RN: 84195-68-6
CAS Name: (2S,3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: (2S,3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,7-dihydroxy-chroman-4-one
IUPAC Name: (2S,3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,7-dihydroxy-2,3-dihydrochromen-4-one
SYSTEMATIC NAME: (2S,3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,7-bis(oxidanyl)-2,3-dihydrochromen-4-one
MOLECULAR FORMULA: C17H14O6
MOLECULAR WEIGHT: 314.28946
SMILES: C1COC2=C(O1)C=CC(=C2)[C@H]3[C@@H](C(=O)C4=C(O3)C=C(C=C4)O)O
Structure:
CAS RN: 3019-51-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H21NO4
MOLECULAR WEIGHT: 327.37434
SMILES: CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)OC)O)O)OC
Structure:
CAS RN: 25651-04-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H21NO4
MOLECULAR WEIGHT: 327.37434
SMILES: CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC(=C(C=C43)O)OC)O)OC
Structure:
CAS RN: 84174-65-2
CAS Name: propanoic acid [(2R,4S)-1,2-dimethyl-4-phenyl-4-piperidinyl] ester
OPENEYE Name: [(2R,4S)-1,2-dimethyl-4-phenyl-4-piperidyl] propanoate
IUPAC Name: [(2R,4S)-1,2-dimethyl-4-phenylpiperidin-4-yl] propanoate
SYSTEMATIC NAME: [(2R,4S)-1,2-dimethyl-4-phenyl-piperidin-4-yl] propanoate
MOLECULAR FORMULA: C16H23NO2
MOLECULAR WEIGHT: 261.35932
SMILES: CCC(=O)O[C@]1(CCN([C@@H](C1)C)C)C2=CC=CC=C2
Structure:
CAS RN: 79955-27-4
CAS Name: 3',6'-diacetyloxy-3-oxo-5-spiro[isobenzofuran-1,9'-xanthene]carboxylic acid
OPENEYE Name: 3',6'-diacetoxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-carboxylic acid
IUPAC Name: 3',6'-diacetyloxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
SYSTEMATIC NAME: 3',6'-diacetyloxy-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid
MOLECULAR FORMULA: C25H16O9
MOLECULAR WEIGHT: 460.38914
SMILES: CC(=O)OC1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)C(=O)O)C(=O)O3)C5=C(O2)C=C(C=C5)OC(=O)C
Structure:
CAS RN: 76343-78-7
CAS Name: 4-hydroxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]-2-oxanone
OPENEYE Name: 4-hydroxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]tetrahydropyran-2-one
IUPAC Name: 4-hydroxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxan-2-one
SYSTEMATIC NAME: 6-[2-(2,6-dimethyl-8-oxidanyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]-4-oxidanyl-oxan-2-one
MOLECULAR FORMULA: C19H28O4
MOLECULAR WEIGHT: 320.42322
SMILES: CC1CC(C2C(C(C=CC2=C1)C)CCC3CC(CC(=O)O3)O)O
Structure:
CAS RN: 79952-42-4
CAS Name: 4-hydroxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]-2-oxanone
OPENEYE Name: 4-hydroxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]tetrahydropyran-2-one
IUPAC Name: 4-hydroxy-6-[2-(8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]oxan-2-one
SYSTEMATIC NAME: 6-[2-(2,6-dimethyl-8-oxidanyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]-4-oxidanyl-oxan-2-one
MOLECULAR FORMULA: C19H28O4
MOLECULAR WEIGHT: 320.42322
SMILES: CC1CC(C2C(C(C=CC2=C1)C)CCC3CC(CC(=O)O3)O)O
Structure:
CAS RN: 79808-98-3
CAS Name: 2-[(2S)-4,7,8-trimethoxy-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-9-ium-2-yl]-2-propanol
OPENEYE Name: 2-[(2S)-4,7,8-trimethoxy-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-9-ium-2-yl]propan-2-ol
IUPAC Name: 2-[(2S)-4,7,8-trimethoxy-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-9-ium-2-yl]propan-2-ol
SYSTEMATIC NAME: 2-[(2S)-4,7,8-trimethoxy-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-9-ium-2-yl]propan-2-ol
MOLECULAR FORMULA: C18H24NO5+
MOLECULAR WEIGHT: 334.38686
SMILES: CC(C)([C@@H]1CC2=C(C3=C(C(=C(C=C3)OC)OC)[N+](=C2O1)C)OC)O
Structure:
CAS RN: 79787-43-2
CAS Name: 3-[1-(1-piperidinyl)cyclohexyl]phenol
OPENEYE Name: 3-[1-(1-piperidyl)cyclohexyl]phenol
IUPAC Name: 3-(1-piperidin-1-ylcyclohexyl)phenol
SYSTEMATIC NAME: 3-(1-piperidin-1-ylcyclohexyl)phenol
MOLECULAR FORMULA: C17H25NO
MOLECULAR WEIGHT: 259.3865
SMILES: C1CCC(CC1)(C2=CC(=CC=C2)O)N3CCCCC3
Structure:
CAS RN: 79763-01-2
CAS Name: 2,3-dichloro-4-nitro-1H-pyrrole
OPENEYE Name: 2,3-dichloro-4-nitro-1H-pyrrole
IUPAC Name: 2,3-dichloro-4-nitro-1H-pyrrole
SYSTEMATIC NAME: 2,3-bis(chloranyl)-4-nitro-1H-pyrrole
MOLECULAR FORMULA: C4H2Cl2N2O2
MOLECULAR WEIGHT: 180.97688
SMILES: C1=C(C(=C(N1)Cl)Cl)[N+](=O)[O-]
Structure:
CAS RN: 79714-31-1
CAS Name: 5-(3-ethoxy-4-pentoxyphenyl)thiazolidine-2,4-dione
OPENEYE Name: 5-(3-ethoxy-4-pentoxy-phenyl)thiazolidine-2,4-dione
IUPAC Name: 5-(3-ethoxy-4-pentoxyphenyl)-1,3-thiazolidine-2,4-dione
SYSTEMATIC NAME: 5-(3-ethoxy-4-pentoxy-phenyl)-1,3-thiazolidine-2,4-dione
MOLECULAR FORMULA: C16H21NO4S
MOLECULAR WEIGHT: 323.40724
SMILES: CCCCCOC1=C(C=C(C=C1)C2C(=O)NC(=O)S2)OCC
Structure:
CAS RN: 83912-99-6
CAS Name: (2S,5R,6S)-6-bromo-3,3-dimethyl-4,7-dioxo-4$l^{4}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
OPENEYE Name: (2S,5R,6S)-6-bromo-3,3-dimethyl-4,7-dioxo-4$l^{4}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC Name: (2S,5R,6S)-6-bromo-3,3-dimethyl-4,7-dioxo-4$l^{4}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SYSTEMATIC NAME: (2S,5R,6S)-6-bromanyl-3,3-dimethyl-4,7-bis(oxidanylidene)-4$l^{4}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
MOLECULAR FORMULA: C8H10BrNO4S
MOLECULAR WEIGHT: 296.1383
SMILES: CC1([C@@H](N2[C@H](S1=O)[C@H](C2=O)Br)C(=O)O)C
Structure:
CAS RN: 83906-58-5
CAS Name: (4R,6R)-6-[2-[(1R,2R,8R,8aS)-8-[(4-fluorophenyl)methoxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxy-2-oxanone
OPENEYE Name: (4R,6R)-6-[2-[(1R,2R,8R,8aS)-8-[(4-fluorophenyl)methoxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxy-tetrahydropyran-2-one
IUPAC Name: (4R,6R)-6-[2-[(1R,2R,8R,8aS)-8-[(4-fluorophenyl)methoxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-hydroxyoxan-2-one
SYSTEMATIC NAME: (4R,6R)-6-[2-[(1R,2R,8R,8aS)-8-[(4-fluorophenyl)methoxy]-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-4-oxidanyl-oxan-2-one
MOLECULAR FORMULA: C26H33FO4
MOLECULAR WEIGHT: 428.536223
SMILES: C[C@@H]1C=CC2=CC(C[C@H]([C@H]2[C@@H]1CC[C@@H]3C[C@H](CC(=O)O3)O)OCC4=CC=C(C=C4)F)C
Structure:
CAS RN: 79683-94-6
CAS Name: (3aS,4S,7R,7aR)-7-hydroxy-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione
OPENEYE Name: (3aS,4S,7R,7aR)-7-hydroxy-4-[2-(5-hydroxy-2-methyl-phenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione
IUPAC Name: (3aS,4S,7R,7aR)-7-hydroxy-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione
SYSTEMATIC NAME: (3aS,4S,7R,7aR)-7a-methyl-4-[2-(2-methyl-5-oxidanyl-phenyl)ethyl]-7-oxidanyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione
MOLECULAR FORMULA: C19H24O4
MOLECULAR WEIGHT: 316.39146
SMILES: CC1=C(C=C(C=C1)O)CC[C@H]2[C@@H]3CCC(=O)[C@]3([C@@H](CC2=O)O)C
Structure:
CAS RN: 83891-33-2
CAS Name: methylsulfinylmethane; propane-1,2,3-triol
OPENEYE Name: glycerol; methylsulfinylmethane
IUPAC Name: methylsulfinylmethane; propane-1,2,3-triol
SYSTEMATIC NAME: methylsulfinylmethane; propane-1,2,3-triol
MOLECULAR FORMULA: C5H14O4S
MOLECULAR WEIGHT: 170.22726
SMILES: CS(=O)C.C(C(CO)O)O
Structure:
CAS RN: 79678-32-3
CAS Name: (2S,4S,4aS,6R,8aR)-6-(hydroxymethyl)-4-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
OPENEYE Name: (2S,4S,4aS,6R,8aR)-4-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-6-(hydroxymethyl)decalin-2-ol
IUPAC Name: (2S,4S,4aS,6R,8aR)-6-(hydroxymethyl)-4-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
SYSTEMATIC NAME: (2S,4S,4aS,6R,8aR)-6-(hydroxymethyl)-4-[4-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
MOLECULAR FORMULA: C26H42O3
MOLECULAR WEIGHT: 402.60988
SMILES: CCCCCCC(C)(C)C1=CC(=C(C=C1)[C@H]2C[C@H](C[C@@H]3[C@@H]2C[C@@H](CC3)CO)O)O
Structure:
CAS RN: 83889-80-9
CAS Name: (2S,4S,4aS,6R,8aR)-6-(hydroxymethyl)-4-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
OPENEYE Name: (2S,4S,4aS,6R,8aR)-4-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-6-(hydroxymethyl)decalin-2-ol
IUPAC Name: (2S,4S,4aS,6R,8aR)-6-(hydroxymethyl)-4-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
SYSTEMATIC NAME: (2S,4S,4aS,6R,8aR)-6-(hydroxymethyl)-4-[4-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol
MOLECULAR FORMULA: C26H42O3
MOLECULAR WEIGHT: 402.60988
SMILES: CCCCCCC(C)(C)C1=CC(=C(C=C1)[C@H]2C[C@H](C[C@@H]3[C@@H]2C[C@@H](CC3)CO)O)O
Structure:
CAS RN: 83869-98-1
CAS Name: 6,8-difluoro-1-(2-fluoroethyl)-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid
OPENEYE Name: 6,8-difluoro-1-(2-fluoroethyl)-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid
IUPAC Name: 6,8-difluoro-1-(2-fluoroethyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
SYSTEMATIC NAME: 6,8-bis(fluoranyl)-1-(2-fluoranylethyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C16H16F3N3O3
MOLECULAR WEIGHT: 355.31175
SMILES: C1CN(CCN1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CCF)F
Structure:
CAS RN: 79624-33-2
CAS Name: 5-methyl-3-nitroso-2-oxazolidinone
OPENEYE Name: 5-methyl-3-nitroso-oxazolidin-2-one
IUPAC Name: 5-methyl-3-nitroso-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 5-methyl-3-nitroso-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C4H6N2O3
MOLECULAR WEIGHT: 130.10204
SMILES: CC1CN(C(=O)O1)N=O
Structure:
CAS RN: 79580-50-0
CAS Name: (2R,3R,4S,5R,6R)-2-[[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)-3-oxanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
OPENEYE Name: (2R,3R,4S,5R,6R)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
IUPAC Name: (2R,3R,4S,5R,6R)-2-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4S,5S,6R)-6-(hydroxymethyl)-2-(4-nitrophenoxy)-4,5-bis(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol
MOLECULAR FORMULA: C18H25NO13
MOLECULAR WEIGHT: 463.39
SMILES: C1=CC(=CC=C1[N+](=O)[O-])O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O
Structure:
CAS RN: 79551-14-7
CAS Name: 5-[3-(2-pyridinyl)-6-(5-sulfo-2-furanyl)-1,2,4-triazin-5-yl]-2-furansulfonic acid
OPENEYE Name: 5-[3-(2-pyridyl)-6-(5-sulfo-2-furyl)-1,2,4-triazin-5-yl]furan-2-sulfonic acid
IUPAC Name: 5-[3-pyridin-2-yl-6-(5-sulfofuran-2-yl)-1,2,4-triazin-5-yl]furan-2-sulfonic acid
SYSTEMATIC NAME: 5-[3-pyridin-2-yl-6-(5-sulfofuran-2-yl)-1,2,4-triazin-5-yl]furan-2-sulfonic acid
MOLECULAR FORMULA: C16H10N4O8S2
MOLECULAR WEIGHT: 450.4026
SMILES: C1=CC=NC(=C1)C2=NC(=C(N=N2)C3=CC=C(O3)S(=O)(=O)O)C4=CC=C(O4)S(=O)(=O)O
Structure:
CAS RN: 79551-14-7
CAS Name: disodium 5-[3-(2-pyridinyl)-6-(5-sulfonato-2-furanyl)-1,2,4-triazin-5-yl]-2-furansulfonate
OPENEYE Name: disodium 5-[3-(2-pyridyl)-6-(5-sulfonato-2-furyl)-1,2,4-triazin-5-yl]furan-2-sulfonate
IUPAC Name: disodium 5-[3-pyridin-2-yl-6-(5-sulfonatofuran-2-yl)-1,2,4-triazin-5-yl]furan-2-sulfonate
SYSTEMATIC NAME: disodium 5-[3-pyridin-2-yl-6-(5-sulfonatofuran-2-yl)-1,2,4-triazin-5-yl]furan-2-sulfonate
MOLECULAR FORMULA: C16H8N4Na2O8S2
MOLECULAR WEIGHT: 494.36626
SMILES: C1=CC=NC(=C1)C2=NC(=C(N=N2)C3=CC=C(O3)S(=O)(=O)[O-])C4=CC=C(O4)S(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 79548-61-1
CAS Name: (3bS,9bR)-6-hydroxy-9b-methyl-7-propan-2-yl-3b,4,10,11-tetrahydro-3H-naphtho[2,1-e]isobenzofuran-1,5-dione
OPENEYE Name: (3bS,9bR)-6-hydroxy-7-isopropyl-9b-methyl-3b,4,10,11-tetrahydro-3H-naphtho[2,1-e]isobenzofuran-1,5-dione
IUPAC Name: (3bS,9bR)-6-hydroxy-9b-methyl-7-propan-2-yl-3b,4,10,11-tetrahydro-3H-naphtho[2,1-e][2]benzofuran-1,5-dione
SYSTEMATIC NAME: (3bS,9bR)-9b-methyl-6-oxidanyl-7-propan-2-yl-3b,4,10,11-tetrahydro-3H-naphtho[2,1-e][2]benzofuran-1,5-dione
MOLECULAR FORMULA: C20H22O4
MOLECULAR WEIGHT: 326.38628
SMILES: CC(C)C1=C(C2=C(C=C1)[C@@]3(CCC4=C([C@H]3CC2=O)COC4=O)C)O
Structure:
CAS RN: 838-15-3
CAS Name: 3-(4-azidophenyl)-1-[2,4-dihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-1-propanone
OPENEYE Name: 3-(4-azidophenyl)-1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]propan-1-one
IUPAC Name: 3-(4-azidophenyl)-1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one
SYSTEMATIC NAME: 3-(4-azidophenyl)-1-[2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,6-bis(oxidanyl)phenyl]propan-1-one
MOLECULAR FORMULA: C21H23N3O9
MOLECULAR WEIGHT: 461.42202
SMILES: C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)N=[N+]=[N-]
Structure:
No comments:
Post a Comment