CAS RN: 72894-17-8
CAS Name: 1,2-dimethyl-4,5-dioxocyclopentane-1,3-dicarboxylic acid diethyl ester
OPENEYE Name: diethyl 1,2-dimethyl-4,5-dioxo-cyclopentane-1,3-dicarboxylate
IUPAC Name: diethyl 1,2-dimethyl-4,5-dioxocyclopentane-1,3-dicarboxylate
SYSTEMATIC NAME: diethyl 1,2-dimethyl-4,5-bis(oxidanylidene)cyclopentane-1,3-dicarboxylate
MOLECULAR FORMULA: C13H18O6
MOLECULAR WEIGHT: 270.27842
SMILES: CCOC(=O)C1C(C(C(=O)C1=O)(C)C(=O)OCC)C
Structure:
CAS RN: 72894-09-8
CAS Name: 2-[1-(3,7-dimethyloct-6-enoxy)-2-phenylethoxy]ethylbenzene
OPENEYE Name: 2-[1-(3,7-dimethyloct-6-enoxy)-2-phenyl-ethoxy]ethylbenzene
IUPAC Name: 2-[1-(3,7-dimethyloct-6-enoxy)-2-phenylethoxy]ethylbenzene
SYSTEMATIC NAME: 2-[1-(3,7-dimethyloct-6-enoxy)-2-phenyl-ethoxy]ethylbenzene
MOLECULAR FORMULA: C26H36O2
MOLECULAR WEIGHT: 380.56284
SMILES: CC(CCC=C(C)C)CCOC(CC1=CC=CC=C1)OCCC2=CC=CC=C2
Structure:
CAS RN: 72877-51-1
CAS Name: (1R,2S,3S)-2-(6-aminopurin-9-yl)-4-(hydroxymethyl)cyclopent-4-ene-1,3-diol
OPENEYE Name: (1R,2S,3S)-2-(6-aminopurin-9-yl)-4-(hydroxymethyl)cyclopent-4-ene-1,3-diol
IUPAC Name: (1R,2S,3S)-2-(6-aminopurin-9-yl)-4-(hydroxymethyl)cyclopent-4-ene-1,3-diol
SYSTEMATIC NAME: (1R,2S,3S)-2-(6-aminopurin-9-yl)-4-(hydroxymethyl)cyclopent-4-ene-1,3-diol
MOLECULAR FORMULA: C11H13N5O3
MOLECULAR WEIGHT: 263.25262
SMILES: C1=C([C@@H]([C@H]([C@@H]1O)N2C=NC3=C2N=CN=C3N)O)CO
Structure:
CAS RN: 72877-49-7
CAS Name: (1S,2S,3S,4R,5R)-3-(6-aminopurin-9-yl)-5-(hydroxymethyl)-6-oxabicyclo[3.1.0]hexane-2,4-diol
OPENEYE Name: (1S,2S,3S,4R,5R)-3-(6-aminopurin-9-yl)-5-(hydroxymethyl)-6-oxabicyclo[3.1.0]hexane-2,4-diol
IUPAC Name: (1S,2S,3S,4R,5R)-3-(6-aminopurin-9-yl)-5-(hydroxymethyl)-6-oxabicyclo[3.1.0]hexane-2,4-diol
SYSTEMATIC NAME: (1S,2S,3S,4R,5R)-3-(6-aminopurin-9-yl)-5-(hydroxymethyl)-6-oxabicyclo[3.1.0]hexane-2,4-diol
MOLECULAR FORMULA: C11H13N5O4
MOLECULAR WEIGHT: 279.25202
SMILES: C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@H]4[C@@]([C@@H]3O)(O4)CO)O
Structure:
CAS RN: 72877-47-5
CAS Name: 9-[(1R,4R,5S)-4,5-dihydroxy-3-(hydroxymethyl)-1-cyclopent-2-enyl]-3H-purin-6-one
OPENEYE Name: 9-[(1R,4R,5S)-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-purin-6-one
IUPAC Name: 9-[(1R,4R,5S)-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-3H-purin-6-one
SYSTEMATIC NAME: 9-[(1R,4R,5S)-3-(hydroxymethyl)-4,5-bis(oxidanyl)cyclopent-2-en-1-yl]-3H-purin-6-one
MOLECULAR FORMULA: C11H12N4O4
MOLECULAR WEIGHT: 264.23738
SMILES: C1=C([C@H]([C@H]([C@@H]1N2C=NC3=C2NC=NC3=O)O)O)CO
Structure:
CAS RN: 72869-91-1
CAS Name: benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; 1,3-dioxo-5-isobenzofurancarboxylic acid; 3-hydroxy-2,2-dimethylpropanoic acid (3-hydroxy-2,2-dimethylpropyl) ester; terephthalic acid
OPENEYE Name: 2,2-dimethylpropane-1,3-diol; 1,3-dioxoisobenzofuran-5-carboxylic acid; (3-hydroxy-2,2-dimethyl-propyl) 3-hydroxy-2,2-dimethyl-propanoate; isophthalic acid; terephthalic acid
IUPAC Name: benzene-1,3-dicarboxylic acid; 2,2-dimethylpropane-1,3-diol; 1,3-dioxo-2-benzofuran-5-carboxylic acid; (3-hydroxy-2,2-dimethylpropyl) 3-hydroxy-2,2-dimethylpropanoate; terephthalic acid
SYSTEMATIC NAME: benzene-1,3-dicarboxylic acid; 1,3-bis(oxidanylidene)-2-benzofuran-5-carboxylic acid; (2,2-dimethyl-3-oxidanyl-propyl) 2,2-dimethyl-3-oxidanyl-propanoate; 2,2-dimethylpropane-1,3-diol; terephthalic acid
MOLECULAR FORMULA: C40H48O19
MOLECULAR WEIGHT: 832.79772
SMILES: CC(C)(CO)CO.CC(C)(CO)COC(=O)C(C)(C)CO.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=CC=C1C(=O)O)C(=O)O.C1=CC2=C(C=C1C(=O)O)C(=O)OC2=O
Structure:
CAS RN: 72863-11-7
CAS Name: ammonia; 2-propenoic acid; 2-propenoic acid ethyl ester
OPENEYE Name: acrylic acid; ammonia; ethyl prop-2-enoate
IUPAC Name: azane; ethyl prop-2-enoate; prop-2-enoic acid
SYSTEMATIC NAME: azane; ethyl prop-2-enoate; prop-2-enoic acid
MOLECULAR FORMULA: C8H15NO4
MOLECULAR WEIGHT: 189.209
SMILES: CCOC(=O)C=C.C=CC(=O)O.N
Structure:
CAS RN: 72854-42-3
CAS Name: 1-heptoxy-3-hydroxy-2-propanone
OPENEYE Name: 1-heptoxy-3-hydroxy-propan-2-one
IUPAC Name: 1-heptoxy-3-hydroxypropan-2-one
SYSTEMATIC NAME: 1-heptoxy-3-oxidanyl-propan-2-one
MOLECULAR FORMULA: C10H20O3
MOLECULAR WEIGHT: 188.264
SMILES: CCCCCCCOCC(=O)CO
Structure:
CAS RN: 72845-90-0
CAS Name: 2-chloro-4-(4-nitrophenyl)azobenzenediazonium sulfate
OPENEYE Name: 2-chloro-4-(4-nitrophenyl)azo-benzenediazonium sulfate
IUPAC Name: 2-chloro-4-[(4-nitrophenyl)diazenyl]benzenediazonium sulfate
SYSTEMATIC NAME: 2-chloranyl-4-[(4-nitrophenyl)diazenyl]benzenediazonium sulfate
MOLECULAR FORMULA: C12H7ClN5O6S-
MOLECULAR WEIGHT: 384.73188
SMILES: C1=CC(=CC=C1N=NC2=CC(=C(C=C2)[N+]#N)Cl)[N+](=O)[O-].[O-]S(=O)(=O)[O-]
Structure:
CAS RN: 72845-85-3
CAS Name: 2-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-dioxolane
OPENEYE Name: 2-[2-(4-isopropylphenyl)-1-methyl-ethyl]-1,3-dioxolane
IUPAC Name: 2-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-dioxolane
SYSTEMATIC NAME: 2-[1-(4-propan-2-ylphenyl)propan-2-yl]-1,3-dioxolane
MOLECULAR FORMULA: C15H22O2
MOLECULAR WEIGHT: 234.33398
SMILES: CC(C)C1=CC=C(C=C1)CC(C)C2OCCO2
Structure:
CAS RN: 72845-77-3
CAS Name: 2-phenoxyacetic acid 3-methylbutyl ester
OPENEYE Name: isopentyl 2-phenoxyacetate
IUPAC Name: 3-methylbutyl 2-phenoxyacetate
SYSTEMATIC NAME: 3-methylbutyl 2-phenoxyethanoate
MOLECULAR FORMULA: C13H18O3
MOLECULAR WEIGHT: 222.28022
SMILES: CC(C)CCOC(=O)COC1=CC=CC=C1
Structure:
CAS RN: 72845-49-9
CAS Name: N-(cyclohexylmethyl)-2-[[6,7-dichloro-4-[2-(cyclohexylmethylsulfamoyl)anilino]-9,10-dioxo-1-anthracenyl]amino]benzenesulfonamide
OPENEYE Name: N-(cyclohexylmethyl)-2-[[6,7-dichloro-4-[2-(cyclohexylmethylsulfamoyl)anilino]-9,10-dioxo-1-anthryl]amino]benzenesulfonamide
IUPAC Name: N-(cyclohexylmethyl)-2-[[6,7-dichloro-4-[2-(cyclohexylmethylsulfamoyl)anilino]-9,10-dioxoanthracen-1-yl]amino]benzenesulfonamide
SYSTEMATIC NAME: 2-[[6,7-bis(chloranyl)-4-[[2-(cyclohexylmethylsulfamoyl)phenyl]amino]-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-N-(cyclohexylmethyl)benzenesulfonamide
MOLECULAR FORMULA: C40H42Cl2N4O6S2
MOLECULAR WEIGHT: 809.82068
SMILES: C1CCC(CC1)CNS(=O)(=O)C2=CC=CC=C2NC3=C4C(=C(C=C3)NC5=CC=CC=C5S(=O)(=O)NCC6CCCCC6)C(=O)C7=CC(=C(C=C7C4=O)Cl)Cl
Structure:
CAS RN: 22565-00-0
CAS Name: 3-ethoxy-3,7-dimethylocta-1,6-diene
OPENEYE Name: 3-ethoxy-3,7-dimethyl-octa-1,6-diene
IUPAC Name: 3-ethoxy-3,7-dimethylocta-1,6-diene
SYSTEMATIC NAME: 3-ethoxy-3,7-dimethyl-octa-1,6-diene
MOLECULAR FORMULA: C12H22O
MOLECULAR WEIGHT: 182.30248
SMILES: CCOC(C)(CCC=C(C)C)C=C
Structure:
CAS RN: 72845-33-1
CAS Name: 3-ethoxy-3,7-dimethylocta-1,6-diene
OPENEYE Name: 3-ethoxy-3,7-dimethyl-octa-1,6-diene
IUPAC Name: 3-ethoxy-3,7-dimethylocta-1,6-diene
SYSTEMATIC NAME: 3-ethoxy-3,7-dimethyl-octa-1,6-diene
MOLECULAR FORMULA: C12H22O
MOLECULAR WEIGHT: 182.30248
SMILES: CCOC(C)(CCC=C(C)C)C=C
Structure:
CAS RN: 72829-27-7
CAS Name: trisodium 3-[2-acetamido-4-[[4-chloro-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]phenyl]azonaphthalene-1,5-disulfonate
OPENEYE Name: trisodium 3-[2-acetamido-4-[[4-chloro-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]phenyl]azonaphthalene-1,5-disulfonate
IUPAC Name: trisodium 3-[[2-acetamido-4-[[4-chloro-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,5-disulfonate
SYSTEMATIC NAME: trisodium 3-[[2-acetamido-4-[[4-chloranyl-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]phenyl]diazenyl]naphthalene-1,5-disulfonate
MOLECULAR FORMULA: C23H18ClN8Na3O10S3
MOLECULAR WEIGHT: 767.05393
SMILES: CC(=O)NC1=C(C=CC(=C1)NC2=NC(=NC(=N2)Cl)NCCS(=O)(=O)[O-])N=NC3=CC(=C4C=CC=C(C4=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
Structure:
CAS RN: 72829-26-6
CAS Name: trisodium 2,5-dichloro-4-[4-[5-[[4-chloro-6-(2-methyl-4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
OPENEYE Name: trisodium 2,5-dichloro-4-[4-[5-[[4-chloro-6-(2-methyl-4-sulfonato-anilino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
IUPAC Name: trisodium 2,5-dichloro-4-[4-[[5-[[4-chloro-6-(2-methyl-4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
SYSTEMATIC NAME: trisodium 2,5-bis(chloranyl)-4-[4-[[5-[[4-chloranyl-6-[(2-methyl-4-sulfonato-phenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]benzenesulfonate
MOLECULAR FORMULA: C26H17Cl3N9Na3O10S3
MOLECULAR WEIGHT: 886.99079
SMILES: CC1=C(C=CC(=C1)S(=O)(=O)[O-])NC2=NC(=NC(=N2)NC3=CC(=C(C=C3)S(=O)(=O)[O-])N=NC4C(=NN(C4=O)C5=CC(=C(C=C5Cl)S(=O)(=O)[O-])Cl)C)Cl.[Na+].[Na+].[Na+]
Structure:
CAS RN: 72829-24-4
CAS Name: trisodium 1-amino-4-[3-[[4-chloro-6-(2-methyl-4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-4-sulfonatoanilino]-9,10-dioxo-2-anthracenesulfonate
OPENEYE Name: trisodium 1-amino-4-[3-[[4-chloro-6-(2-methyl-4-sulfonato-anilino)-1,3,5-triazin-2-yl]amino]-4-sulfonato-anilino]-9,10-dioxo-anthracene-2-sulfonate
IUPAC Name: trisodium 1-amino-4-[3-[[4-chloro-6-(2-methyl-4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-4-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate
SYSTEMATIC NAME: trisodium 1-azanyl-4-[[3-[[4-chloranyl-6-[(2-methyl-4-sulfonato-phenyl)amino]-1,3,5-triazin-2-yl]amino]-4-sulfonato-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate
MOLECULAR FORMULA: C30H19ClN7Na3O11S3
MOLECULAR WEIGHT: 854.12947
SMILES: CC1=C(C=CC(=C1)S(=O)(=O)[O-])NC2=NC(=NC(=N2)Cl)NC3=C(C=CC(=C3)NC4=CC(=C(C5=C4C(=O)C6=CC=CC=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
Structure:
CAS RN: 72829-23-3
CAS Name: 2-[4-[ethyl-[2-(1-pyridin-1-iumyl)ethyl]amino]phenyl]azo-5-nitrobenzonitrile acetate
OPENEYE Name: 2-[4-[ethyl(2-pyridin-1-ium-1-ylethyl)amino]phenyl]azo-5-nitro-benzonitrile acetate
IUPAC Name: 2-[[4-[ethyl(2-pyridin-1-ium-1-ylethyl)amino]phenyl]diazenyl]-5-nitrobenzonitrile acetate
SYSTEMATIC NAME: 2-[[4-[ethyl(2-pyridin-1-ium-1-ylethyl)amino]phenyl]diazenyl]-5-nitro-benzenecarbonitrile ethanoate
MOLECULAR FORMULA: C24H24N6O4
MOLECULAR WEIGHT: 460.48516
SMILES: CCN(CC[N+]1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])C#N.CC(=O)[O-]
Structure:
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