CAS RN: 395065-03-9
CAS Name: disodium butyl phosphate
OPENEYE Name: disodium butyl phosphate
IUPAC Name: disodium butyl phosphate
SYSTEMATIC NAME: disodium butyl phosphate
MOLECULAR FORMULA: C4H9Na2O4P
MOLECULAR WEIGHT: 198.065161
SMILES: CCCCOP(=O)([O-])[O-].[Na+].[Na+]
Structure:
CAS RN: 53126-67-3
CAS Name: disodium butyl phosphate
OPENEYE Name: disodium butyl phosphate
IUPAC Name: disodium butyl phosphate
SYSTEMATIC NAME: disodium butyl phosphate
MOLECULAR FORMULA: C4H9Na2O4P
MOLECULAR WEIGHT: 198.065161
SMILES: CCCCOP(=O)([O-])[O-].[Na+].[Na+]
Structure:
CAS RN: 56093-87-9
CAS Name: disodium butyl phosphate
OPENEYE Name: disodium butyl phosphate
IUPAC Name: disodium butyl phosphate
SYSTEMATIC NAME: disodium butyl phosphate
MOLECULAR FORMULA: C4H9Na2O4P
MOLECULAR WEIGHT: 198.065161
SMILES: CCCCOP(=O)([O-])[O-].[Na+].[Na+]
Structure:
CAS RN: 66019-63-4
CAS Name: (1R)-7-methoxy-1-[(4-methoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-8-ol chloride
OPENEYE Name: (1R)-7-methoxy-1-[(4-methoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-8-ol chloride
IUPAC Name: (1R)-7-methoxy-1-[(4-methoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-8-ol chloride
SYSTEMATIC NAME: (1R)-7-methoxy-1-[(4-methoxyphenyl)methyl]-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-8-ol chloride
MOLECULAR FORMULA: C20H26ClNO3
MOLECULAR WEIGHT: 363.87834
SMILES: C[N+]1(CCC2=C([C@H]1CC3=CC=C(C=C3)OC)C(=C(C=C2)OC)O)C.[Cl-]
Structure:
CAS RN: 63863-44-5
CAS Name: 1,1,2,2-tetrafluoroethene; 2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropanoic acid methyl ester
OPENEYE Name: methyl 3-[1-[difluoro(1,2,2-trifluorovinyloxy)methyl]-1,2,2,2-tetrafluoro-ethoxy]-2,2,3,3-tetrafluoro-propanoate; 1,1,2,2-tetrafluoroethylene
IUPAC Name: methyl 2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropanoate; 1,1,2,2-tetrafluoroethene
SYSTEMATIC NAME: methyl 2,2,3,3-tetrakis(fluoranyl)-3-[1,1,1,2,3,3-hexakis(fluoranyl)-3-[1,2,2-tris(fluoranyl)ethenoxy]propan-2-yl]oxy-propanoate; 1,1,2,2-tetrakis(fluoranyl)ethene
MOLECULAR FORMULA: C11H3F17O4
MOLECULAR WEIGHT: 522.111974
SMILES: COC(=O)C(C(OC(C(OC(=C(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(F)F.C(=C(F)F)(F)F
Structure:
CAS RN: 79948-25-7
CAS Name: 1,1,2,2-tetrafluoroethene; 2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropanoic acid methyl ester
OPENEYE Name: methyl 3-[1-[difluoro(1,2,2-trifluorovinyloxy)methyl]-1,2,2,2-tetrafluoro-ethoxy]-2,2,3,3-tetrafluoro-propanoate; 1,1,2,2-tetrafluoroethylene
IUPAC Name: methyl 2,2,3,3-tetrafluoro-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxypropanoate; 1,1,2,2-tetrafluoroethene
SYSTEMATIC NAME: methyl 2,2,3,3-tetrakis(fluoranyl)-3-[1,1,1,2,3,3-hexakis(fluoranyl)-3-[1,2,2-tris(fluoranyl)ethenoxy]propan-2-yl]oxy-propanoate; 1,1,2,2-tetrakis(fluoranyl)ethene
MOLECULAR FORMULA: C11H3F17O4
MOLECULAR WEIGHT: 522.111974
SMILES: COC(=O)C(C(OC(C(OC(=C(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(F)F.C(=C(F)F)(F)F
Structure:
CAS RN: 72792-54-2
CAS Name: 5-[5-(4-chlorophenyl)-2-furanyl]-2-oxolanone
OPENEYE Name: 5-[5-(4-chlorophenyl)-2-furyl]tetrahydrofuran-2-one
IUPAC Name: 5-[5-(4-chlorophenyl)furan-2-yl]oxolan-2-one
SYSTEMATIC NAME: 5-[5-(4-chlorophenyl)furan-2-yl]oxolan-2-one
MOLECULAR FORMULA: C14H11ClO3
MOLECULAR WEIGHT: 262.68834
SMILES: C1CC(=O)OC1C2=CC=C(O2)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 72766-92-8
CAS Name: [(2R,3S,4R,5R)-5-(4-amino-2-oxo-5H-pyrimidin-1-ium-1-yl)-3,4-dihydroxy-2-oxolanyl]methyl dihydrogen phosphate; (2S)-2,6-diaminohexanoic acid; [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)-2-oxolanyl]methyl dihydrogen phosphate
OPENEYE Name: [(2R,3S,4R,5R)-5-(4-amino-2-oxo-5H-pyrimidin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate; (2S)-2,6-diaminohexanoic acid; [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
IUPAC Name: [(2R,3S,4R,5R)-5-(4-amino-2-oxo-5H-pyrimidin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate; (2S)-2,6-diaminohexanoic acid; [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
SYSTEMATIC NAME: [(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-5H-pyrimidin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate; (2S)-2,6-bis(azanyl)hexanoic acid; [(2R,3S,4R,5R)-3,4-bis(oxidanyl)-5-(6-oxidanylidene-3H-purin-9-yl)oxolan-2-yl]methyl dihydroge
MOLECULAR FORMULA: C25H42N9O18P2+
MOLECULAR WEIGHT: 818.598002
SMILES: C1C=[N+](C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O.C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O.C(CCN)C[C@@H](C(=O)O)N
Structure:
CAS RN: 726-92-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H31NO3
MOLECULAR WEIGHT: 345.47574
SMILES: C[C@]12CCN3CC[C@H]1[C@@]3(C[C@@H]4[C@@H]2CC[C@]5([C@H]4C[C@H]6[C@@H]5CC(=O)O6)C)O
Structure:
CAS RN: 63653-28-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H31NO3
MOLECULAR WEIGHT: 345.47574
SMILES: C[C@]12CCN3CC[C@H]1[C@@]3(C[C@@H]4[C@@H]2CC[C@]5([C@H]4C[C@H]6[C@@H]5CC(=O)O6)C)O
Structure:
CAS RN: 726-28-3
CAS Name: (2S)-2-(1-methylethenyl)-2,3-dihydrobenzofuran-5-carboxaldehyde
OPENEYE Name: (2S)-2-isopropenyl-2,3-dihydrobenzofuran-5-carbaldehyde
IUPAC Name: (2S)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-carbaldehyde
SYSTEMATIC NAME: (2S)-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-carbaldehyde
MOLECULAR FORMULA: C12H12O2
MOLECULAR WEIGHT: 188.22248
SMILES: CC(=C)[C@@H]1CC2=C(O1)C=CC(=C2)C=O
Structure:
CAS RN: 63335-24-0
CAS Name: 1-(2,6-dihydroxyphenyl)-9-(4-hydroxyphenyl)-1-nonanone
OPENEYE Name: 1-(2,6-dihydroxyphenyl)-9-(4-hydroxyphenyl)nonan-1-one
IUPAC Name: 1-(2,6-dihydroxyphenyl)-9-(4-hydroxyphenyl)nonan-1-one
SYSTEMATIC NAME: 1-[2,6-bis(oxidanyl)phenyl]-9-(4-hydroxyphenyl)nonan-1-one
MOLECULAR FORMULA: C21H26O4
MOLECULAR WEIGHT: 342.42874
SMILES: C1=CC(=C(C(=C1)O)C(=O)CCCCCCCCC2=CC=C(C=C2)O)O
Structure:
CAS RN: 7154-88-3
CAS Name: 1-(2,6-dihydroxyphenyl)-9-(4-hydroxyphenyl)-1-nonanone
OPENEYE Name: 1-(2,6-dihydroxyphenyl)-9-(4-hydroxyphenyl)nonan-1-one
IUPAC Name: 1-(2,6-dihydroxyphenyl)-9-(4-hydroxyphenyl)nonan-1-one
SYSTEMATIC NAME: 1-[2,6-bis(oxidanyl)phenyl]-9-(4-hydroxyphenyl)nonan-1-one
MOLECULAR FORMULA: C21H26O4
MOLECULAR WEIGHT: 342.42874
SMILES: C1=CC(=C(C(=C1)O)C(=O)CCCCCCCCC2=CC=C(C=C2)O)O
Structure:
CAS RN: 63204-23-9
CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-1H-pyrimidin-6-one dihydrochloride
OPENEYE Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one dihydrochloride
IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one dihydrochloride
SYSTEMATIC NAME: 5-(1,3-benzodioxol-5-ylmethyl)-2-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-1H-pyrimidin-6-one dihydrochloride
MOLECULAR FORMULA: C19H23Cl2N5O3S
MOLECULAR WEIGHT: 472.38862
SMILES: CC1=C(N=CN1)CSCCNC2=NC=C(C(=O)N2)CC3=CC4=C(C=C3)OCO4.Cl.Cl
Structure:
CAS RN: 63114-77-2
CAS Name: 2-chloro-N-(2,3-dimethylphenyl)-N-propan-2-ylacetamide
OPENEYE Name: 2-chloro-N-(2,3-dimethylphenyl)-N-isopropyl-acetamide
IUPAC Name: 2-chloro-N-(2,3-dimethylphenyl)-N-propan-2-ylacetamide
SYSTEMATIC NAME: 2-chloranyl-N-(2,3-dimethylphenyl)-N-propan-2-yl-ethanamide
MOLECULAR FORMULA: C13H18ClNO
MOLECULAR WEIGHT: 239.74112
SMILES: CC1=C(C(=CC=C1)N(C(C)C)C(=O)CCl)C
Structure:
CAS RN: 73468-30-1
CAS Name: 2-chloro-N-(2,3-dimethylphenyl)-N-propan-2-ylacetamide
OPENEYE Name: 2-chloro-N-(2,3-dimethylphenyl)-N-isopropyl-acetamide
IUPAC Name: 2-chloro-N-(2,3-dimethylphenyl)-N-propan-2-ylacetamide
SYSTEMATIC NAME: 2-chloranyl-N-(2,3-dimethylphenyl)-N-propan-2-yl-ethanamide
MOLECULAR FORMULA: C13H18ClNO
MOLECULAR WEIGHT: 239.74112
SMILES: CC1=C(C(=CC=C1)N(C(C)C)C(=O)CCl)C
Structure:
CAS RN: 248915-07-3
CAS Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[5-oxo-4-[(1-phenyl-5-tetrazolyl)thio]-3-(1-pyrrolidinyl)-4H-pyrazol-1-yl]phenyl]butanamide
OPENEYE Name: 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-[5-oxo-4-(1-phenyltetrazol-5-yl)sulfanyl-3-pyrrolidin-1-yl-4H-pyrazol-1-yl]phenyl]butanamide
IUPAC Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[5-oxo-4-(1-phenyltetrazol-5-yl)sulfanyl-3-pyrrolidin-1-yl-4H-pyrazol-1-yl]phenyl]butanamide
SYSTEMATIC NAME: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[5-oxidanylidene-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-pyrrolidin-1-yl-4H-pyrazol-1-yl]phenyl]butanamide
MOLECULAR FORMULA: C40H50N8O3S
MOLECULAR WEIGHT: 722.9418
SMILES: CCC(C(=O)NC1=CC=C(C=C1)N2C(=O)C(C(=N2)N3CCCC3)SC4=NN=NN4C5=CC=CC=C5)OC6=C(C=C(C=C6)C(C)(C)CC)C(C)(C)CC
Structure:
CAS RN: 30818-18-9
CAS Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[5-oxo-4-[(1-phenyl-5-tetrazolyl)thio]-3-(1-pyrrolidinyl)-4H-pyrazol-1-yl]phenyl]butanamide
OPENEYE Name: 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-[5-oxo-4-(1-phenyltetrazol-5-yl)sulfanyl-3-pyrrolidin-1-yl-4H-pyrazol-1-yl]phenyl]butanamide
IUPAC Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[5-oxo-4-(1-phenyltetrazol-5-yl)sulfanyl-3-pyrrolidin-1-yl-4H-pyrazol-1-yl]phenyl]butanamide
SYSTEMATIC NAME: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[4-[5-oxidanylidene-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-3-pyrrolidin-1-yl-4H-pyrazol-1-yl]phenyl]butanamide
MOLECULAR FORMULA: C40H50N8O3S
MOLECULAR WEIGHT: 722.9418
SMILES: CCC(C(=O)NC1=CC=C(C=C1)N2C(=O)C(C(=N2)N3CCCC3)SC4=NN=NN4C5=CC=CC=C5)OC6=C(C=C(C=C6)C(C)(C)CC)C(C)(C)CC
Structure:
CAS RN: 62498-69-5
CAS Name: 1-(3-aminopropyl)-1-(4-fluorophenyl)-3H-isobenzofuran-5-carbonitrile
OPENEYE Name: 1-(3-aminopropyl)-1-(4-fluorophenyl)-3H-isobenzofuran-5-carbonitrile
IUPAC Name: 1-(3-aminopropyl)-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile
SYSTEMATIC NAME: 1-(3-azanylpropyl)-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile
MOLECULAR FORMULA: C18H17FN2O
MOLECULAR WEIGHT: 296.338783
SMILES: C1C2=C(C=CC(=C2)C#N)C(O1)(CCCN)C3=CC=C(C=C3)F
Structure:
CAS RN: 67010-78-0
CAS Name: benzoic acid [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] ester; 3-phenylpropanoic acid [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-
OPENEYE Name: [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate; [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 3-phenylpropanoate
IUPAC Name: [(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate; [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 3-phenylpropanoate
SYSTEMATIC NAME: [(8R,9S,13S,14S,17S)-13-methyl-17-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate; [(8R,9S,13S,14S,17S)-13-methyl-3-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 3-phenylpropanoate
MOLECULAR FORMULA: C52H60O6
MOLECULAR WEIGHT: 781.0292
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4=CC=CC=C4)CCC5=C3C=CC(=C5)O
Structure:
CAS RN: 6698-98-2
CAS Name: (6S)-4-methoxy-6-[[4-[2-methoxy-5-[[(1S)-5,6,7-trimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl]methyl]phenoxy]phenyl]methyl]-7-methyl-8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isoquinoline
OPENEYE Name: (6S)-4-methoxy-6-[[4-[2-methoxy-5-[[(1S)-5,6,7-trimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl]methyl]phenoxy]phenyl]methyl]-7-methyl-8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isoquinoline
IUPAC Name: (6S)-4-methoxy-6-[[4-[2-methoxy-5-[[(1S)-5,6,7-trimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl]methyl]phenoxy]phenyl]methyl]-7-methyl-8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isoquinoline
SYSTEMATIC NAME: (6S)-4-methoxy-6-[[4-[2-methoxy-5-[[(1S)-5,6,7-trimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-1-yl]methyl]phenoxy]phenyl]methyl]-7-methyl-8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isoquinoline
MOLECULAR FORMULA: C41H49N2O8+
MOLECULAR WEIGHT: 697.83636
SMILES: CN1CCC2=C3C(=C(C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=CC(=C(C(=C7CC[N+]6(C)C)OC)OC)OC)OC)OC)OCO3
Structure:
CAS RN: 6697-37-6
CAS Name: 3-[(3R,5R,8R,9S,10S,13R,17R)-14-hydroxy-3,10,13-trimethyl-3-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
OPENEYE Name: 3-[(3R,5R,8R,9S,10S,13R,17R)-14-hydroxy-3,10,13-trimethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
IUPAC Name: 3-[(3R,5R,8R,9S,10S,13R,17R)-14-hydroxy-3,10,13-trimethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[(3R,5R,8R,9S,10S,13R,17R)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,10,13-trimethyl-14-oxidanyl-2,4,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C30H46O9
MOLECULAR WEIGHT: 550.68084
SMILES: C[C@]1(CC[C@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@]4(C3(CC[C@@H]4C5=CC(=O)OC5)O)C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
Structure:
CAS RN: 62163-53-5
CAS Name: N-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)azo]-N-(phenylmethyl)aniline; sulfuric acid dimethyl ester
OPENEYE Name: N-benzyl-N-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)azo]aniline; dimethyl sulfate
IUPAC Name: N-benzyl-N-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)diazenyl]aniline; dimethyl sulfate
SYSTEMATIC NAME: dimethyl sulfate; N-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)diazenyl]-N-(phenylmethyl)aniline
MOLECULAR FORMULA: C19H24N6O4S
MOLECULAR WEIGHT: 432.49666
SMILES: CN1C(=NC=N1)N=NC2=CC=C(C=C2)N(C)CC3=CC=CC=C3.COS(=O)(=O)OC
Structure:
CAS RN: 66940-32-7
CAS Name: (4R)-4-[(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]-1-pentanol
OPENEYE Name: (4R)-4-[(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]pentan-1-ol
IUPAC Name: (4R)-4-[(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]pentan-1-ol
SYSTEMATIC NAME: (4R)-4-[(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]pentan-1-ol
MOLECULAR FORMULA: C32H56O
MOLECULAR WEIGHT: 456.78644
SMILES: C[C@H](CCCO)[C@H]1CC[C@]2([C@H]1CC[C@@]3([C@@H]2CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCCC5(C)C)C)C)C)C
Structure:
CAS RN: 25664-81-7
CAS Name: disodium 4-[4-[2-methoxy-5-methyl-4-(2-sulfonatooxyethylsulfonyl)phenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
OPENEYE Name: disodium 4-[4-[2-methoxy-5-methyl-4-(2-sulfonatooxyethylsulfonyl)phenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
IUPAC Name: disodium 4-[4-[[2-methoxy-5-methyl-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
SYSTEMATIC NAME: disodium 4-[4-[[2-methoxy-5-methyl-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonate
MOLECULAR FORMULA: C20H20N4Na2O11S3
MOLECULAR WEIGHT: 634.56754
SMILES: CC1=CC(=C(C=C1S(=O)(=O)CCOS(=O)(=O)[O-])OC)N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C.[Na+].[Na+]
Structure:
CAS RN: 62087-72-3
CAS Name: (2S)-2-[[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxy-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-carboxy-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-5-(diaminomethylideneamino)pentanoic acid
OPENEYE Name: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxy-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-carboxy-propanoyl]pyrrolidine-2-carbonyl]amino]-5-guanidino-pentanoic acid
IUPAC Name: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
SYSTEMATIC NAME: (2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]carbonylamino]-5-[bis(azanyl)methylideneamino]pentanoic acid
MOLECULAR FORMULA: C22H36N8O11
MOLECULAR WEIGHT: 588.56824
SMILES: C1C[C@H](N(C1)C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
Structure:
CAS RN: 61991-08-0
CAS Name: 2-[[(2-aminocyclopentyl)-oxomethyl]amino]-2-[6-(2-amino-9-purinyl)-4-(1,2-dihydroxyethyl)-4,5-dihydroxy-2-oxanyl]acetic acid
OPENEYE Name: 2-[(2-aminocyclopentanecarbonyl)amino]-2-[6-(2-aminopurin-9-yl)-4-(1,2-dihydroxyethyl)-4,5-dihydroxy-tetrahydropyran-2-yl]acetic acid
IUPAC Name: 2-[(2-aminocyclopentanecarbonyl)amino]-2-[6-(2-aminopurin-9-yl)-4-(1,2-dihydroxyethyl)-4,5-dihydroxyoxan-2-yl]acetic acid
SYSTEMATIC NAME: 2-[(2-azanylcyclopentyl)carbonylamino]-2-[6-(2-azanylpurin-9-yl)-4-[1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)oxan-2-yl]ethanoic acid
MOLECULAR FORMULA: C20H29N7O8
MOLECULAR WEIGHT: 495.48636
SMILES: C1CC(C(C1)N)C(=O)NC(C2CC(C(C(O2)N3C=NC4=CN=C(N=C43)N)O)(C(CO)O)O)C(=O)O
Structure:
CAS RN: 61951-99-3
CAS Name: (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-mercapto-1-oxoethyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
OPENEYE Name: (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-17-(2-sulfanylacetyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC Name: (8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-17-(2-sulfanylacetyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8S,9S,10R,11S,13S,14S,17R)-10,13-dimethyl-11,17-bis(oxidanyl)-17-(2-sulfanylethanoyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H30O4S
MOLECULAR WEIGHT: 378.5255
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CS)O)C)O
Structure:
CAS RN: 61871-71-4
CAS Name: 1-(4-hydroxy-3-methoxyphenyl)decane-3,5-dione
OPENEYE Name: 1-(4-hydroxy-3-methoxy-phenyl)decane-3,5-dione
IUPAC Name: 1-(4-hydroxy-3-methoxyphenyl)decane-3,5-dione
SYSTEMATIC NAME: 1-(3-methoxy-4-oxidanyl-phenyl)decane-3,5-dione
MOLECULAR FORMULA: C17H24O4
MOLECULAR WEIGHT: 292.37006
SMILES: CCCCCC(=O)CC(=O)CCC1=CC(=C(C=C1)O)OC
Structure:
CAS RN: 66800-30-4
CAS Name: 1-(4-hydroxy-3-methoxyphenyl)decane-3,5-dione
OPENEYE Name: 1-(4-hydroxy-3-methoxy-phenyl)decane-3,5-dione
IUPAC Name: 1-(4-hydroxy-3-methoxyphenyl)decane-3,5-dione
SYSTEMATIC NAME: 1-(3-methoxy-4-oxidanyl-phenyl)decane-3,5-dione
MOLECULAR FORMULA: C17H24O4
MOLECULAR WEIGHT: 292.37006
SMILES: CCCCCC(=O)CC(=O)CCC1=CC(=C(C=C1)O)OC
Structure:
CAS RN: 1476-48-8
CAS Name: sulfuric acid [4-(2,4,7-triamino-6-pteridinyl)phenyl] ester
OPENEYE Name: [4-(2,4,7-triaminopteridin-6-yl)phenyl] hydrogen sulfate
IUPAC Name: [4-(2,4,7-triaminopteridin-6-yl)phenyl] hydrogen sulfate
SYSTEMATIC NAME: [4-[2,4,7-tris(azanyl)pteridin-6-yl]phenyl] hydrogen sulfate
MOLECULAR FORMULA: C12H11N7O4S
MOLECULAR WEIGHT: 349.32524
SMILES: C1=CC(=CC=C1C2=NC3=C(N=C2N)N=C(N=C3N)N)OS(=O)(=O)O
Structure:
CAS RN: 61867-18-3
CAS Name: sulfuric acid [4-(2,4,7-triamino-6-pteridinyl)phenyl] ester
OPENEYE Name: [4-(2,4,7-triaminopteridin-6-yl)phenyl] hydrogen sulfate
IUPAC Name: [4-(2,4,7-triaminopteridin-6-yl)phenyl] hydrogen sulfate
SYSTEMATIC NAME: [4-[2,4,7-tris(azanyl)pteridin-6-yl]phenyl] hydrogen sulfate
MOLECULAR FORMULA: C12H11N7O4S
MOLECULAR WEIGHT: 349.32524
SMILES: C1=CC(=CC=C1C2=NC3=C(N=C2N)N=C(N=C3N)N)OS(=O)(=O)O
Structure:
CAS RN: 61802-93-5
CAS Name: 7-bromo-5-(2-chlorophenyl)-2-(methoxymethyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine hydrochloride
OPENEYE Name: 7-bromo-5-(2-chlorophenyl)-2-(methoxymethyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine hydrochloride
IUPAC Name: 7-bromo-5-(2-chlorophenyl)-2-(methoxymethyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine hydrochloride
SYSTEMATIC NAME: 7-bromanyl-5-(2-chlorophenyl)-2-(methoxymethyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine hydrochloride
MOLECULAR FORMULA: C18H19BrCl2N2O
MOLECULAR WEIGHT: 430.16626
SMILES: CN1C(CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3Cl)COC.Cl
Structure:
CAS RN: 61490-63-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H18O4
MOLECULAR WEIGHT: 262.30102
SMILES: CC1CC2C(CC34C1C(CC3=O)OC4)C(=C)C(=O)O2
Structure:
CAS RN: 61484-38-6
CAS Name: (2S)-N-[2-[[(2R)-4-methyl-2-(methylamino)-1-oxopentyl]amino]-1-oxoethyl]-2-pyrrolidinecarboxamide
OPENEYE Name: (2S)-N-[2-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]acetyl]pyrrolidine-2-carboxamide
IUPAC Name: (2S)-N-[2-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]acetyl]pyrrolidine-2-carboxamide
SYSTEMATIC NAME: (2S)-N-[2-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]ethanoyl]pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C14H26N4O3
MOLECULAR WEIGHT: 298.38124
SMILES: CC(C)C[C@H](C(=O)NCC(=O)NC(=O)[C@@H]1CCCN1)NC
Structure:
CAS RN: 118401-92-6
CAS Name: 16-methylheptadecanoic acid; 2-propanol; titanium
OPENEYE Name: 16-methylheptadecanoic acid; propan-2-ol; titanium
IUPAC Name: 16-methylheptadecanoic acid; propan-2-ol; titanium
SYSTEMATIC NAME: 16-methylheptadecanoic acid; propan-2-ol; titanium
MOLECULAR FORMULA: C57H116O7Ti
MOLECULAR WEIGHT: 961.39374
SMILES: CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)O.[Ti]
Structure:
CAS RN: 58766-22-6
CAS Name: 16-methylheptadecanoic acid; 2-propanol; titanium
OPENEYE Name: 16-methylheptadecanoic acid; propan-2-ol; titanium
IUPAC Name: 16-methylheptadecanoic acid; propan-2-ol; titanium
SYSTEMATIC NAME: 16-methylheptadecanoic acid; propan-2-ol; titanium
MOLECULAR FORMULA: C57H116O7Ti
MOLECULAR WEIGHT: 961.39374
SMILES: CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)CCCCCCCCCCCCCCC(=O)O.CC(C)O.[Ti]
Structure:
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