Sunday, October 28, 2012

http://ChemLookup.com Compounds




CAS RN: 25104-27-2
CAS Name: 1,3-dinitro-2-(4-nitrophenyl)benzene
OPENEYE Name: 1,3-dinitro-2-(4-nitrophenyl)benzene
IUPAC Name: 1,3-dinitro-2-(4-nitrophenyl)benzene
SYSTEMATIC NAME: 1,3-dinitro-2-(4-nitrophenyl)benzene
MOLECULAR FORMULA: C12H7N3O6
MOLECULAR WEIGHT: 289.20048
SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 21973-23-9
CAS Name: N-[(2S,3R,4R,5S,6R)-2-[[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy-4-oxanyl]oxy]-6-(hydroxymethyl)-4-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-5-[[(2S,3S,4R,5S,6S)-3
OPENEYE Name: N-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(1R,2R,3R)-1-[(1R)-1,2-dihydroxyethyl]-2,3-dihydroxy-4-oxo-butoxy]-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2
IUPAC Name: N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5S,6S)-3,4,5-
SYSTEMATIC NAME: N-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-2-[(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[(2R,3R,4R,5R)-1,2,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexan-3-yl]oxy-oxan-4-yl]oxy-4-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-
MOLECULAR FORMULA: C32H55NO25
MOLECULAR WEIGHT: 853.7708
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O)C)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)CO)O)CO)O)O)O
Structure:

CAS RN: 21948-46-9
CAS Name: 1,2-dichlorooctane
OPENEYE Name: 1,2-dichlorooctane
IUPAC Name: 1,2-dichlorooctane
SYSTEMATIC NAME: 1,2-bis(chloranyl)octane
MOLECULAR FORMULA: C8H16Cl2
MOLECULAR WEIGHT: 183.11864
SMILES: CCCCCCC(CCl)Cl
Structure:

CAS RN: 25080-14-2
CAS Name: 1,2-dichlorooctane
OPENEYE Name: 1,2-dichlorooctane
IUPAC Name: 1,2-dichlorooctane
SYSTEMATIC NAME: 1,2-bis(chloranyl)octane
MOLECULAR FORMULA: C8H16Cl2
MOLECULAR WEIGHT: 183.11864
SMILES: CCCCCCC(CCl)Cl
Structure:

CAS RN: 21946-79-2
CAS Name: nitric acid 2-[2-[bis(2-nitrooxyethyl)amino]ethyl-(2-nitrooxyethyl)amino]ethyl ester
OPENEYE Name: 2-[2-[bis(2-nitrooxyethyl)amino]ethyl-(2-nitrooxyethyl)amino]ethyl nitrate
IUPAC Name: 2-[2-[bis(2-nitrooxyethyl)amino]ethyl-(2-nitrooxyethyl)amino]ethyl nitrate
SYSTEMATIC NAME: 2-[2-[bis(2-nitrooxyethyl)amino]ethyl-(2-nitrooxyethyl)amino]ethyl nitrate
MOLECULAR FORMULA: C10H20N6O12
MOLECULAR WEIGHT: 416.2988
SMILES: C(CN(CCO[N+](=O)[O-])CCO[N+](=O)[O-])N(CCO[N+](=O)[O-])CCO[N+](=O)[O-]
Structure:

CAS RN: 18622-02-1
CAS Name: aluminum 2-[bis(2-oxidoethyl)amino]ethanolate
OPENEYE Name: aluminum 2-[bis(2-oxidoethyl)amino]ethanolate
IUPAC Name: aluminum 2-[bis(2-oxidoethyl)amino]ethanolate
SYSTEMATIC NAME: aluminum 2-[bis(2-oxidanidylethyl)amino]ethanolate
MOLECULAR FORMULA: C6H12AlNO3
MOLECULAR WEIGHT: 173.145918
SMILES: C(C[O-])N(CC[O-])CC[O-].[Al+3]
Structure:

CAS RN: 21863-06-9
CAS Name: aluminum 2-[bis(2-oxidoethyl)amino]ethanolate
OPENEYE Name: aluminum 2-[bis(2-oxidoethyl)amino]ethanolate
IUPAC Name: aluminum 2-[bis(2-oxidoethyl)amino]ethanolate
SYSTEMATIC NAME: aluminum 2-[bis(2-oxidanidylethyl)amino]ethanolate
MOLECULAR FORMULA: C6H12AlNO3
MOLECULAR WEIGHT: 173.145918
SMILES: C(C[O-])N(CC[O-])CC[O-].[Al+3]
Structure:

CAS RN: 21811-74-5
CAS Name: 6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3',6'-dihydroxy-1-spiro[isobenzofuran-3,9'-xanthene]one hydrochloride
OPENEYE Name: 6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3',6'-dihydroxy-spiro[isobenzofuran-3,9'-xanthene]-1-one hydrochloride
IUPAC Name: 6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one hydrochloride
SYSTEMATIC NAME: 6-[[4,6-bis(chloranyl)-1,3,5-triazin-2-yl]amino]-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one hydrochloride
MOLECULAR FORMULA: C23H13Cl3N4O5
MOLECULAR WEIGHT: 531.73212
SMILES: C1=CC2=C(C=C1NC3=NC(=NC(=N3)Cl)Cl)C(=O)OC24C5=C(C=C(C=C5)O)OC6=C4C=CC(=C6)O.Cl
Structure:

CAS RN: 27323-40-6
CAS Name: 6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3',6'-dihydroxy-1-spiro[isobenzofuran-3,9'-xanthene]one hydrochloride
OPENEYE Name: 6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3',6'-dihydroxy-spiro[isobenzofuran-3,9'-xanthene]-1-one hydrochloride
IUPAC Name: 6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one hydrochloride
SYSTEMATIC NAME: 6-[[4,6-bis(chloranyl)-1,3,5-triazin-2-yl]amino]-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one hydrochloride
MOLECULAR FORMULA: C23H13Cl3N4O5
MOLECULAR WEIGHT: 531.73212
SMILES: C1=CC2=C(C=C1NC3=NC(=NC(=N3)Cl)Cl)C(=O)OC24C5=C(C=C(C=C5)O)OC6=C4C=CC(=C6)O.Cl
Structure:

CAS RN: 24781-13-3
CAS Name: (2S)-1-[[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloeicos-4-yl]-oxomethyl]-N-[(2S)-1-[[2-[(2-amino-2-oxoethyl)ami
OPENEYE Name: (2S)-1-[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxo-ethyl)-10-(3-amino-3-oxo-propyl)-16-[(4-hydroxyphenyl)methyl]-13-[(1S)-1-methylpropyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(1S)-1-[[2-[(2-amino-2-oxo-ethyl)
IUPAC Name: (2S)-1-[(4R,7S,10S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[[2-[(2-amino-2-oxoethyl)amino]-
SYSTEMATIC NAME: (2S)-1-[[(4R,7S,10S,16S,19R)-19-azanyl-7-(2-azanyl-2-oxidanylidene-ethyl)-10-(3-azanyl-3-oxidanylidene-propyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentakis(oxidanylidene)-1,2-dithia-5,8,11,14,17-pentazacycloicos-4-yl]carbonyl]-N
MOLECULAR FORMULA: C45H69N13O13S2
MOLECULAR WEIGHT: 1064.23866
SMILES: CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)N)CC(=O)N)CCC(=O)N
Structure:

CAS RN: 24748-93-4
CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; (1S,5R)-9-methoxy-3-methyl-9-phenyl-3-azabicyclo[3.3.1]nonane
OPENEYE Name: citric acid; (1S,5R)-9-methoxy-3-methyl-9-phenyl-3-azabicyclo[3.3.1]nonane
IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; (1S,5R)-9-methoxy-3-methyl-9-phenyl-3-azabicyclo[3.3.1]nonane
SYSTEMATIC NAME: (1S,5R)-9-methoxy-3-methyl-9-phenyl-3-azabicyclo[3.3.1]nonane; 2-oxidanylpropane-1,2,3-tricarboxylic acid
MOLECULAR FORMULA: C22H31NO8
MOLECULAR WEIGHT: 437.48344
SMILES: CN1C[C@H]2CCC[C@@H](C1)C2(C3=CC=CC=C3)OC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Structure:

CAS RN: 21618-99-5
CAS Name: 5-(2-aminopropyl)-2-methylphenol
OPENEYE Name: 5-(2-aminopropyl)-2-methyl-phenol
IUPAC Name: 5-(2-aminopropyl)-2-methylphenol
SYSTEMATIC NAME: 5-(2-azanylpropyl)-2-methyl-phenol
MOLECULAR FORMULA: C10H15NO
MOLECULAR WEIGHT: 165.2322
SMILES: CC1=C(C=C(C=C1)CC(C)N)O
Structure:

CAS RN: 24638-56-0
CAS Name: 2,2-dimethylpropanoic acid [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] ester
OPENEYE Name: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate
IUPAC Name: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate
SYSTEMATIC NAME: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxidanylidene-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate
MOLECULAR FORMULA: C24H36O3
MOLECULAR WEIGHT: 372.54084
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)C(C)(C)C)CCC4=CC(=O)CC[C@]34C
Structure:

CAS RN: 21528-11-0
CAS Name: N-(2-aminoethyl)-3-hydroxy-2-naphthalenecarboxamide hydrochloride
OPENEYE Name: N-(2-aminoethyl)-3-hydroxy-naphthalene-2-carboxamide hydrochloride
IUPAC Name: N-(2-aminoethyl)-3-hydroxynaphthalene-2-carboxamide hydrochloride
SYSTEMATIC NAME: N-(2-azanylethyl)-3-oxidanyl-naphthalene-2-carboxamide hydrochloride
MOLECULAR FORMULA: C13H15ClN2O2
MOLECULAR WEIGHT: 266.7234
SMILES: C1=CC=C2C=C(C(=CC2=C1)C(=O)NCCN)O.Cl
Structure:

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