Friday, September 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 2,3-dibromo-4-hydroxy-benzamide
CAS Name: 2,3-dibromo-4-hydroxybenzamide
IUPAC NAME: 2,3-dibromo-4-hydroxybenzamide
SYSTEMATIC NAME: 2,3-bis(bromanyl)-4-oxidanyl-benzamide
MOLECULAR FORMULA: C7H5Br2NO2
MOLECULAR WEIGHT: 294.9281
SMILES: C1=CC(=C(C(=C1C(=O)N)Br)Br)O
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Product OPENEYE NAME: 5-methyl-2-phenyl-5,6-dihydro-4H-1,3-oxazine
CAS Name: 5-methyl-2-phenyl-5,6-dihydro-4H-1,3-oxazine
IUPAC NAME: 5-methyl-2-phenyl-5,6-dihydro-4H-1,3-oxazine
SYSTEMATIC NAME: 5-methyl-2-phenyl-5,6-dihydro-4H-1,3-oxazine
MOLECULAR FORMULA: C11H13NO
MOLECULAR WEIGHT: 175.22702
SMILES: CC1CN=C(OC1)C2=CC=CC=C2
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Product OPENEYE NAME: 2,3-dibromo-4-nitro-phenol
CAS Name: 2,3-dibromo-4-nitrophenol
IUPAC NAME: 2,3-dibromo-4-nitrophenol
SYSTEMATIC NAME: 2,3-bis(bromanyl)-4-nitro-phenol
MOLECULAR FORMULA: C6H3Br2NO3
MOLECULAR WEIGHT: 296.90092
SMILES: C1=CC(=C(C(=C1[N+](=O)[O-])Br)Br)O
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Product OPENEYE NAME: 1-[3-(3-chloro-4-nitro-phenoxy)phenyl]ethanone
CAS Name: 1-[3-(3-chloro-4-nitrophenoxy)phenyl]ethanone
IUPAC NAME: 1-[3-(3-chloro-4-nitrophenoxy)phenyl]ethanone
SYSTEMATIC NAME: 1-[3-(3-chloranyl-4-nitro-phenoxy)phenyl]ethanone
MOLECULAR FORMULA: C14H10ClNO4
MOLECULAR WEIGHT: 291.6865
SMILES: CC(=O)C1=CC(=CC=C1)OC2=CC(=C(C=C2)[N+](=O)[O-])Cl
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Product OPENEYE NAME: S-carbamothioyl 3-(2,4-difluorophenoxy)-4-(methanesulfonamido)benzenecarbothioate
CAS Name: 3-(2,4-difluorophenoxy)-4-(methanesulfonamido)benzenecarbothioic acid S-carbamothioyl ester
IUPAC NAME: S-carbamothioyl 3-(2,4-difluorophenoxy)-4-(methanesulfonamido)benzenecarbothioate
SYSTEMATIC NAME: S-carbamothioyl 3-[2,4-bis(fluoranyl)phenoxy]-4-(methylsulfonylamino)benzenecarbothioate
MOLECULAR FORMULA: C15H12F2N2O4S3
MOLECULAR WEIGHT: 418.458586
SMILES: CS(=O)(=O)NC1=C(C=C(C=C1)C(=O)SC(=S)N)OC2=C(C=C(C=C2)F)F
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Product OPENEYE NAME: 1-(2,4-difluorophenoxy)-N-phenyl-methanesulfonamide
CAS Name: 1-(2,4-difluorophenoxy)-N-phenylmethanesulfonamide
IUPAC NAME: 1-(2,4-difluorophenoxy)-N-phenylmethanesulfonamide
SYSTEMATIC NAME: 1-[2,4-bis(fluoranyl)phenoxy]-N-phenyl-methanesulfonamide
MOLECULAR FORMULA: C13H11F2NO3S
MOLECULAR WEIGHT: 299.293146
SMILES: C1=CC=C(C=C1)NS(=O)(=O)COC2=C(C=C(C=C2)F)F
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Product OPENEYE NAME: 2-(2,4-difluorophenoxy)-4-nitro-benzamide
CAS Name: 2-(2,4-difluorophenoxy)-4-nitrobenzamide
IUPAC NAME: 2-(2,4-difluorophenoxy)-4-nitrobenzamide
SYSTEMATIC NAME: 2-[2,4-bis(fluoranyl)phenoxy]-4-nitro-benzamide
MOLECULAR FORMULA: C13H8F2N2O4
MOLECULAR WEIGHT: 294.210426
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])OC2=C(C=C(C=C2)F)F)C(=O)N
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Product OPENEYE NAME: 2-(2,3-difluorophenoxy)-4-nitro-aniline
CAS Name: 2-(2,3-difluorophenoxy)-4-nitroaniline
IUPAC NAME: 2-(2,3-difluorophenoxy)-4-nitroaniline
SYSTEMATIC NAME: 2-[2,3-bis(fluoranyl)phenoxy]-4-nitro-aniline
MOLECULAR FORMULA: C12H8F2N2O3
MOLECULAR WEIGHT: 266.200326
SMILES: C1=CC(=C(C(=C1)F)F)OC2=C(C=CC(=C2)[N+](=O)[O-])N
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Product OPENEYE NAME: [3-(2,4-difluorophenoxy)-2,5-diethyl-4-nitro-phenyl]-(4-thioxo-1,3,2-oxathiazetidin-2-yl)methanone
CAS Name: [3-(2,4-difluorophenoxy)-2,5-diethyl-4-nitrophenyl]-(4-sulfanylidene-1,3,2-oxathiazetidin-2-yl)methanone
IUPAC NAME: [3-(2,4-difluorophenoxy)-2,5-diethyl-4-nitrophenyl]-(4-sulfanylidene-1,3,2-oxathiazetidin-2-yl)methanone
SYSTEMATIC NAME: [3-[2,4-bis(fluoranyl)phenoxy]-2,5-diethyl-4-nitro-phenyl]-(4-sulfanylidene-1,3,2-oxathiazetidin-2-yl)methanone
MOLECULAR FORMULA: C18H14F2N2O5S2
MOLECULAR WEIGHT: 440.440966
SMILES: CCC1=C(C(=C(C(=C1)C(=O)N2OC(=S)S2)CC)OC3=C(C=C(C=C3)F)F)[N+](=O)[O-]
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Product OPENEYE NAME: 1-[3-(2,4-difluorophenoxy)phenyl]-2-nitro-propan-1-one
CAS Name: 1-[3-(2,4-difluorophenoxy)phenyl]-2-nitro-1-propanone
IUPAC NAME: 1-[3-(2,4-difluorophenoxy)phenyl]-2-nitropropan-1-one
SYSTEMATIC NAME: 1-[3-[2,4-bis(fluoranyl)phenoxy]phenyl]-2-nitro-propan-1-one
MOLECULAR FORMULA: C15H11F2NO4
MOLECULAR WEIGHT: 307.248946
SMILES: CC(C(=O)C1=CC(=CC=C1)OC2=C(C=C(C=C2)F)F)[N+](=O)[O-]
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Product OPENEYE NAME: 3-ethylsulfonyl-1,2,4-oxadiazole
CAS Name: 3-ethylsulfonyl-1,2,4-oxadiazole
IUPAC NAME: 3-ethylsulfonyl-1,2,4-oxadiazole
SYSTEMATIC NAME: 3-ethylsulfonyl-1,2,4-oxadiazole
MOLECULAR FORMULA: C4H6N2O3S
MOLECULAR WEIGHT: 162.16704
SMILES: CCS(=O)(=O)C1=NOC=N1
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Product OPENEYE NAME: S-carbamothioyl 3-(2,4-difluorophenoxy)-4-nitro-benzenecarbothioate
CAS Name: 3-(2,4-difluorophenoxy)-4-nitrobenzenecarbothioic acid S-carbamothioyl ester
IUPAC NAME: S-carbamothioyl 3-(2,4-difluorophenoxy)-4-nitrobenzenecarbothioate
SYSTEMATIC NAME: S-carbamothioyl 3-[2,4-bis(fluoranyl)phenoxy]-4-nitro-benzenecarbothioate
MOLECULAR FORMULA: C14H8F2N2O4S2
MOLECULAR WEIGHT: 370.351126
SMILES: C1=CC(=C(C=C1C(=O)SC(=S)N)OC2=C(C=C(C=C2)F)F)[N+](=O)[O-]
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Product OPENEYE NAME: N'-hydroxy-2-(methanesulfonamido)benzamidine
CAS Name: N'-hydroxy-2-(methanesulfonamido)benzenecarboximidamide
IUPAC NAME: N'-hydroxy-2-(methanesulfonamido)benzenecarboximidamide
SYSTEMATIC NAME: 2-(methylsulfonylamino)-N'-oxidanyl-benzenecarboximidamide
MOLECULAR FORMULA: C8H11N3O3S
MOLECULAR WEIGHT: 229.25624
SMILES: CS(=O)(=O)NC1=CC=CC=C1/C(=N/O)/N
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Product OPENEYE NAME: N-[2-(2-pyridin-1-ium-1-ylacetyl)phenyl]methanesulfonamide chloride
CAS Name: N-[2-[1-oxo-2-(1-pyridin-1-iumyl)ethyl]phenyl]methanesulfonamide chloride
IUPAC NAME: N-[2-(2-pyridin-1-ium-1-ylacetyl)phenyl]methanesulfonamide chloride
SYSTEMATIC NAME: N-[2-(2-pyridin-1-ium-1-ylethanoyl)phenyl]methanesulfonamide chloride
MOLECULAR FORMULA: C14H15ClN2O3S
MOLECULAR WEIGHT: 326.7985
SMILES: CS(=O)(=O)NC1=CC=CC=C1C(=O)C[N+]2=CC=CC=C2.[Cl-]
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Product OPENEYE NAME: N-[2-(2-pyridin-1-ium-1-ylacetyl)phenyl]methanesulfonamide
CAS Name: N-[2-[1-oxo-2-(1-pyridin-1-iumyl)ethyl]phenyl]methanesulfonamide
IUPAC NAME: N-[2-(2-pyridin-1-ium-1-ylacetyl)phenyl]methanesulfonamide
SYSTEMATIC NAME: N-[2-(2-pyridin-1-ium-1-ylethanoyl)phenyl]methanesulfonamide
MOLECULAR FORMULA: C14H15N2O3S+
MOLECULAR WEIGHT: 291.3455
SMILES: CS(=O)(=O)NC1=CC=CC=C1C(=O)C[N+]2=CC=CC=C2
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Product OPENEYE NAME: 1-(2,4,6,6-tetramethyl-5-pyrrolidin-1-yl-cyclohexa-2,4-dien-1-yl)propan-1-one
CAS Name: 1-[2,4,6,6-tetramethyl-5-(1-pyrrolidinyl)-1-cyclohexa-2,4-dienyl]-1-propanone
IUPAC NAME: 1-(2,4,6,6-tetramethyl-5-pyrrolidin-1-ylcyclohexa-2,4-dien-1-yl)propan-1-one
SYSTEMATIC NAME: 1-(2,4,6,6-tetramethyl-5-pyrrolidin-1-yl-cyclohexa-2,4-dien-1-yl)propan-1-one
MOLECULAR FORMULA: C17H27NO
MOLECULAR WEIGHT: 261.40238
SMILES: CCC(=O)C1C(=CC(=C(C1(C)C)N2CCCC2)C)C
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Product OPENEYE NAME: 1-(3,4,5-trimethoxy-6-methyl-5-pyrrolidin-1-yl-cyclohexa-1,3-dien-1-yl)propan-1-one
CAS Name: 1-[3,4,5-trimethoxy-6-methyl-5-(1-pyrrolidinyl)-1-cyclohexa-1,3-dienyl]-1-propanone
IUPAC NAME: 1-(3,4,5-trimethoxy-6-methyl-5-pyrrolidin-1-ylcyclohexa-1,3-dien-1-yl)propan-1-one
SYSTEMATIC NAME: 1-(3,4,5-trimethoxy-6-methyl-5-pyrrolidin-1-yl-cyclohexa-1,3-dien-1-yl)propan-1-one
MOLECULAR FORMULA: C17H27NO4
MOLECULAR WEIGHT: 309.40058
SMILES: CCC(=O)C1=CC(=C(C(C1C)(N2CCCC2)OC)OC)OC
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