Monday, August 15, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-diethyl-ethanamine
CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-diethylethanamine
IUPAC NAME: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-diethylethanamine
SYSTEMATIC NAME: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-diethyl-ethanamine
MOLECULAR FORMULA: C14H21NO2
MOLECULAR WEIGHT: 235.32204
SMILES: CCN(CC)CCC1COC2=CC=CC=C2O1
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Product OPENEYE NAME: hexadecylbenzene
CAS Name: hexadecylbenzene
IUPAC NAME: hexadecylbenzene
SYSTEMATIC NAME: hexadecylbenzene
MOLECULAR FORMULA: C22H38
MOLECULAR WEIGHT: 302.53712
SMILES: CCCCCCCCCCCCCCCCC1=CC=CC=C1
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Product OPENEYE NAME: tetradecylbenzene
CAS Name: tetradecylbenzene
IUPAC NAME: tetradecylbenzene
SYSTEMATIC NAME: tetradecylbenzene
MOLECULAR FORMULA: C20H34
MOLECULAR WEIGHT: 274.48396
SMILES: CCCCCCCCCCCCCCC1=CC=CC=C1
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Product OPENEYE NAME: 1,2,4-tritert-butylbenzene
CAS Name: 1,2,4-tritert-butylbenzene
IUPAC NAME: 1,2,4-tritert-butylbenzene
SYSTEMATIC NAME: 1,2,4-tritert-butylbenzene
MOLECULAR FORMULA: C18H30
MOLECULAR WEIGHT: 246.4308
SMILES: CC(C)(C)C1=CC(=C(C=C1)C(C)(C)C)C(C)(C)C
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Product OPENEYE NAME: dimethyl benzene-1,3-dicarboxylate
CAS Name: benzene-1,3-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl benzene-1,3-dicarboxylate
SYSTEMATIC NAME: dimethyl benzene-1,3-dicarboxylate
MOLECULAR FORMULA: C10H10O4
MOLECULAR WEIGHT: 194.184
SMILES: COC(=O)C1=CC(=CC=C1)C(=O)OC
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Product OPENEYE NAME: 1,3,5-tritert-butylbenzene
CAS Name: 1,3,5-tritert-butylbenzene
IUPAC NAME: 1,3,5-tritert-butylbenzene
SYSTEMATIC NAME: 1,3,5-tritert-butylbenzene
MOLECULAR FORMULA: C18H30
MOLECULAR WEIGHT: 246.4308
SMILES: CC(C)(C)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C
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Product OPENEYE NAME: (1-chloro-2-phenyl-vinyl)benzene
CAS Name: (1-chloro-2-phenylethenyl)benzene
IUPAC NAME: (1-chloro-2-phenylethenyl)benzene
SYSTEMATIC NAME: (1-chloranyl-2-phenyl-ethenyl)benzene
MOLECULAR FORMULA: C14H11Cl
MOLECULAR WEIGHT: 214.69014
SMILES: C1=CC=C(C=C1)C=C(C2=CC=CC=C2)Cl
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Product OPENEYE NAME: cycloheptanecarboxylic acid
CAS Name: cycloheptanecarboxylic acid
IUPAC NAME: cycloheptanecarboxylic acid
SYSTEMATIC NAME: cycloheptanecarboxylic acid
MOLECULAR FORMULA: C8H14O2
MOLECULAR WEIGHT: 142.19556
SMILES: C1CCCC(CC1)C(=O)O
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Product OPENEYE NAME: (3-amino-2,4,6-triiodo-phenyl)methanol
CAS Name: (3-amino-2,4,6-triiodophenyl)methanol
IUPAC NAME: (3-amino-2,4,6-triiodophenyl)methanol
SYSTEMATIC NAME: [3-azanyl-2,4,6-tris(iodanyl)phenyl]methanol
MOLECULAR FORMULA: C7H6I3NO
MOLECULAR WEIGHT: 500.84205
SMILES: C1=C(C(=C(C(=C1I)N)I)CO)I
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Product OPENEYE NAME: 2-cyclopropyl-2-hydroxy-2-phenyl-acetic acid
CAS Name: 2-cyclopropyl-2-hydroxy-2-phenylacetic acid
IUPAC NAME: 2-cyclopropyl-2-hydroxy-2-phenylacetic acid
SYSTEMATIC NAME: 2-cyclopropyl-2-oxidanyl-2-phenyl-ethanoic acid
MOLECULAR FORMULA: C11H12O3
MOLECULAR WEIGHT: 192.21118
SMILES: C1CC1C(C2=CC=CC=C2)(C(=O)O)O
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Product OPENEYE NAME: 1-isopropyl-7-methyl-4-methylene-2,3,4a,5,6,8a-hexahydro-1H-naphthalene
CAS Name: 7-methyl-4-methylene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene
IUPAC NAME: 7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene
SYSTEMATIC NAME: 7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalene
MOLECULAR FORMULA: C15H24
MOLECULAR WEIGHT: 204.35106
SMILES: CC1=CC2C(CC1)C(=C)CCC2C(C)C
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Product OPENEYE NAME: 3,5,5,9-tetramethyl-1,2,4a,6,7,8-hexahydrobenzo[7]annulene
CAS Name: 3,5,5,9-tetramethyl-1,2,4a,6,7,8-hexahydrobenzo[7]annulene
IUPAC NAME: 3,5,5,9-tetramethyl-1,2,4a,6,7,8-hexahydrobenzo[7]annulene
SYSTEMATIC NAME: 3,5,5,9-tetramethyl-1,2,4a,6,7,8-hexahydrobenzo[7]annulene
MOLECULAR FORMULA: C15H24
MOLECULAR WEIGHT: 204.35106
SMILES: CC1=CC2C(=C(CCCC2(C)C)C)CC1
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Product OPENEYE NAME: tributyl(chloro)stannane
CAS Name: tributyl(chloro)stannane
IUPAC NAME: tributyl(chloro)stannane
SYSTEMATIC NAME: tributyl(chloranyl)stannane
MOLECULAR FORMULA: C12H27ClSn
MOLECULAR WEIGHT: 325.50578
SMILES: CCCC[Sn](CCCC)(CCCC)Cl
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Product OPENEYE NAME: tributylstannanylium bromide
CAS Name: tributylstannanylium bromide
IUPAC NAME: tributylstannanylium bromide
SYSTEMATIC NAME: tributylstannanylium bromide
MOLECULAR FORMULA: C12H27BrSn
MOLECULAR WEIGHT: 369.95678
SMILES: CCCC[Sn+](CCCC)CCCC.[Br-]
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Product OPENEYE NAME: tetrabutylstannane
CAS Name: tetrabutylstannane
IUPAC NAME: tetrabutylstannane
SYSTEMATIC NAME: tetrabutylstannane
MOLECULAR FORMULA: C16H36Sn
MOLECULAR WEIGHT: 347.16704
SMILES: CCCC[Sn](CCCC)(CCCC)CCCC
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Product OPENEYE NAME: 3-(dodecylamino)propanoic acid
CAS Name: 3-(dodecylamino)propanoic acid
IUPAC NAME: 3-(dodecylamino)propanoic acid
SYSTEMATIC NAME: 3-(dodecylamino)propanoic acid
MOLECULAR FORMULA: C15H31NO2
MOLECULAR WEIGHT: 257.41214
SMILES: CCCCCCCCCCCCNCCC(=O)O
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Product OPENEYE NAME: 2,3,6-trimethylpyridine
CAS Name: 2,3,6-trimethylpyridine
IUPAC NAME: 2,3,6-trimethylpyridine
SYSTEMATIC NAME: 2,3,6-trimethylpyridine
MOLECULAR FORMULA: C8H11N
MOLECULAR WEIGHT: 121.17964
SMILES: CC1=C(N=C(C=C1)C)C
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Product OPENEYE NAME: 2,8-dimethylquinoline
CAS Name: 2,8-dimethylquinoline
IUPAC NAME: 2,8-dimethylquinoline
SYSTEMATIC NAME: 2,8-dimethylquinoline
MOLECULAR FORMULA: C11H11N
MOLECULAR WEIGHT: 157.21174
SMILES: CC1=NC2=C(C=CC=C2C)C=C1
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Product OPENEYE NAME: 2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]guanidine
CAS Name: 2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]guanidine
IUPAC NAME: 2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]guanidine
SYSTEMATIC NAME: 2-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]guanidine
MOLECULAR FORMULA: C9H18N4
MOLECULAR WEIGHT: 182.26602
SMILES: CC1=CCN(CC1)CCN=C(N)N
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Product OPENEYE NAME: 2-amino-4-methylselanyl-butanoic acid
CAS Name: 2-amino-4-(methylseleno)butanoic acid
IUPAC NAME: 2-amino-4-methylselanylbutanoic acid
SYSTEMATIC NAME: 2-azanyl-4-methylselanyl-butanoic acid
MOLECULAR FORMULA: C5H11NO2Se
MOLECULAR WEIGHT: 196.10634
SMILES: C[Se]CCC(C(=O)O)N
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Product OPENEYE NAME: 2-amino-3-[(2-amino-2-carboxy-ethyl)diselanyl]propanoic acid
CAS Name: 2-amino-3-[(2-amino-2-carboxyethyl)diselanyl]propanoic acid
IUPAC NAME: 2-amino-3-[(2-amino-2-carboxyethyl)diselanyl]propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-[(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)diselanyl]propanoic acid
MOLECULAR FORMULA: C6H12N2O4Se2
MOLECULAR WEIGHT: 334.09048
SMILES: C(C(C(=O)O)N)[Se][Se]CC(C(=O)O)N
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Product OPENEYE NAME: 2-vinyloxyethyl 2-methylprop-2-enoate
CAS Name: 2-methyl-2-propenoic acid 2-ethenoxyethyl ester
IUPAC NAME: 2-ethenoxyethyl 2-methylprop-2-enoate
SYSTEMATIC NAME: 2-ethenoxyethyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C8H12O3
MOLECULAR WEIGHT: 156.17908
SMILES: CC(=C)C(=O)OCCOC=C
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Product OPENEYE NAME: N'-(1-naphthyl)ethane-1,2-diamine dihydrochloride
CAS Name: N'-(1-naphthalenyl)ethane-1,2-diamine dihydrochloride
IUPAC NAME: N'-naphthalen-1-ylethane-1,2-diamine dihydrochloride
SYSTEMATIC NAME: N'-naphthalen-1-ylethane-1,2-diamine dihydrochloride
MOLECULAR FORMULA: C12H16Cl2N2
MOLECULAR WEIGHT: 259.17484
SMILES: C1=CC=C2C(=C1)C=CC=C2NCCN.Cl.Cl
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