Saturday, April 27, 2013

All Chemical Compounds Information




Product OPENEYE NAME: diammonium 2-hydroxybutanedioate
CAS Name: diammonium 2-hydroxybutanedioate
IUPAC NAME: diazanium 2-hydroxybutanedioate
SYSTEMATIC NAME: diazanium 2-oxidanylbutanedioate
MOLECULAR FORMULA: C4H12N2O5
MOLECULAR WEIGHT: 168.14848
SMILES: C(C(C(=O)[O-])O)C(=O)[O-].[NH4+].[NH4+]
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Product OPENEYE NAME: ammonium potassium dinitrate
CAS Name: ammonium potassium dinitrate
IUPAC NAME: azanium potassium dinitrate
SYSTEMATIC NAME: azanium potassium dinitrate
MOLECULAR FORMULA: H4KN3O6
MOLECULAR WEIGHT: 181.14656
SMILES: [NH4+].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[K+]
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Product OPENEYE NAME: tert-butyl 3-(acetoxymethyl)-7-amino-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Name: 3-(acetyloxymethyl)-7-amino-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester
IUPAC NAME: tert-butyl 3-(acetyloxymethyl)-7-amino-7-formamido-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
SYSTEMATIC NAME: tert-butyl 3-(acetyloxymethyl)-7-azanyl-7-formamido-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
MOLECULAR FORMULA: C15H21N3O6S
MOLECULAR WEIGHT: 371.40874
SMILES: CC(=O)OCC1=C(N2C(C(C2=O)(N)NC=O)SC1)C(=O)OC(C)(C)C
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Product OPENEYE NAME: benzyl 6-[(4-nitrophenyl)methyleneamino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CAS Name: 6-[(4-nitrophenyl)methylideneamino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester
IUPAC NAME: benzyl 6-[(4-nitrophenyl)methylideneamino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 6-[(4-nitrophenyl)methylideneamino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
MOLECULAR FORMULA: C20H17N3O5S
MOLECULAR WEIGHT: 411.43108
SMILES: C1C(N2C(S1)C(C2=O)N=CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC4=CC=CC=C4
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Product OPENEYE NAME: [2-methyl-4-[(2,2,2-trifluoroacetyl)amino]-3,4-dihydro-2H-pyran-3-yl] acetate
CAS Name: acetic acid [2-methyl-4-[(2,2,2-trifluoro-1-oxoethyl)amino]-3,4-dihydro-2H-pyran-3-yl] ester
IUPAC NAME: [2-methyl-4-[(2,2,2-trifluoroacetyl)amino]-3,4-dihydro-2H-pyran-3-yl] acetate
SYSTEMATIC NAME: [2-methyl-4-[2,2,2-tris(fluoranyl)ethanoylamino]-3,4-dihydro-2H-pyran-3-yl] ethanoate
MOLECULAR FORMULA: C10H12F3NO4
MOLECULAR WEIGHT: 267.20179
SMILES: CC1C(C(C=CO1)NC(=O)C(F)(F)F)OC(=O)C
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Product OPENEYE NAME: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)prop-2-en-1-one
CAS Name: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-propen-1-one
IUPAC NAME: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)prop-2-en-1-one
SYSTEMATIC NAME: 1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)prop-2-en-1-one
MOLECULAR FORMULA: C17H15NO
MOLECULAR WEIGHT: 249.3071
SMILES: C=CC(=O)N1C2=CC=CC=C2CCC3=CC=CC=C31
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Product OPENEYE NAME: 2-bromo-1-phenothiazin-10-yl-propan-1-one
CAS Name: 2-bromo-1-(10-phenothiazinyl)-1-propanone
IUPAC NAME: 2-bromo-1-phenothiazin-10-ylpropan-1-one
SYSTEMATIC NAME: 2-bromanyl-1-phenothiazin-10-yl-propan-1-one
MOLECULAR FORMULA: C15H12BrNOS
MOLECULAR WEIGHT: 334.23088
SMILES: CC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)Br
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Product OPENEYE NAME: (3R,4R)-3-[(2S)-1-methylpyrrolidin-2-yl]dithiolan-4-ol
CAS Name: (3R,4R)-3-[(2S)-1-methyl-2-pyrrolidinyl]-4-dithiolanol
IUPAC NAME: (3R,4R)-3-[(2S)-1-methylpyrrolidin-2-yl]dithiolan-4-ol
SYSTEMATIC NAME: (3R,4R)-3-[(2S)-1-methylpyrrolidin-2-yl]-1,2-dithiolan-4-ol
MOLECULAR FORMULA: C8H15NOS2
MOLECULAR WEIGHT: 205.3408
SMILES: CN1CCC[C@H]1[C@@H]2[C@@H](CSS2)O
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Product OPENEYE NAME: (3S,4R)-3-[(2S)-1-methylpyrrolidin-2-yl]dithiolan-4-ol
CAS Name: (3S,4R)-3-[(2S)-1-methyl-2-pyrrolidinyl]-4-dithiolanol
IUPAC NAME: (3S,4R)-3-[(2S)-1-methylpyrrolidin-2-yl]dithiolan-4-ol
SYSTEMATIC NAME: (3S,4R)-3-[(2S)-1-methylpyrrolidin-2-yl]-1,2-dithiolan-4-ol
MOLECULAR FORMULA: C8H15NOS2
MOLECULAR WEIGHT: 205.3408
SMILES: CN1CCC[C@H]1[C@H]2[C@@H](CSS2)O
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Product OPENEYE NAME: 1-(hydroxymethyl)imidazolidine-2,4-dione
CAS Name: 1-(hydroxymethyl)imidazolidine-2,4-dione
IUPAC NAME: 1-(hydroxymethyl)imidazolidine-2,4-dione
SYSTEMATIC NAME: 1-(hydroxymethyl)imidazolidine-2,4-dione
MOLECULAR FORMULA: C4H6N2O3
MOLECULAR WEIGHT: 130.10204
SMILES: C1C(=O)NC(=O)N1CO
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Product OPENEYE NAME: 1-(5-tert-butyl-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-3-methyl-urea
CAS Name: 1-(5-tert-butyl-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-3-methylurea
IUPAC NAME: 1-(5-tert-butyl-7-oxo-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-3-methylurea
SYSTEMATIC NAME: 1-(5-tert-butyl-7-oxidanylidene-5,6-dihydro-4H-1,3-benzothiazol-2-yl)-3-methyl-urea
MOLECULAR FORMULA: C13H19N3O2S
MOLECULAR WEIGHT: 281.37386
SMILES: CC(C)(C)C1CC2=C(C(=O)C1)SC(=N2)NC(=O)NC
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Product OPENEYE NAME: 1,5-dichloro-2-[1-[ethoxy(methyl)phosphoryl]ethoxy]-4-nitro-benzene
CAS Name: 1,5-dichloro-2-[1-[ethoxy(methyl)phosphoryl]ethoxy]-4-nitrobenzene
IUPAC NAME: 1,5-dichloro-2-[1-[ethoxy(methyl)phosphoryl]ethoxy]-4-nitrobenzene
SYSTEMATIC NAME: 1,5-bis(chloranyl)-2-[1-[ethoxy(methyl)phosphoryl]ethoxy]-4-nitro-benzene
MOLECULAR FORMULA: C11H14Cl2NO5P
MOLECULAR WEIGHT: 342.112321
SMILES: CCOP(=O)(C)C(C)OC1=C(C=C(C(=C1)[N+](=O)[O-])Cl)Cl
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Product OPENEYE NAME: 2,4-dichloro-5-[1-[ethoxy(methyl)phosphoryl]ethoxy]aniline
CAS Name: 2,4-dichloro-5-[1-[ethoxy(methyl)phosphoryl]ethoxy]aniline
IUPAC NAME: 2,4-dichloro-5-[1-[ethoxy(methyl)phosphoryl]ethoxy]aniline
SYSTEMATIC NAME: 2,4-bis(chloranyl)-5-[1-[ethoxy(methyl)phosphoryl]ethoxy]aniline
MOLECULAR FORMULA: C11H16Cl2NO3P
MOLECULAR WEIGHT: 312.129401
SMILES: CCOP(=O)(C)C(C)OC1=C(C=C(C(=C1)N)Cl)Cl
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