Thursday, August 8, 2013

All Chemical Compounds Information




Product OPENEYE NAME: ethylene; 7-methoxy-1H-indole
CAS Name: ethene; 7-methoxy-1H-indole
IUPAC NAME: ethene; 7-methoxy-1H-indole
SYSTEMATIC NAME: ethene; 7-methoxy-1H-indole
MOLECULAR FORMULA: C11H13NO
MOLECULAR WEIGHT: 175.22702
SMILES: COC1=CC=CC2=C1NC=C2.C=C
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Product OPENEYE NAME: 5-chloro-1H-indole; ethylene
CAS Name: 5-chloro-1H-indole; ethene
IUPAC NAME: 5-chloro-1H-indole; ethene
SYSTEMATIC NAME: 5-chloranyl-1H-indole; ethene
MOLECULAR FORMULA: C10H10ClN
MOLECULAR WEIGHT: 179.6461
SMILES: C=C.C1=CC2=C(C=CN2)C=C1Cl
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Product OPENEYE NAME: 1,8-dimethyl-1,2-dihydroazeto[1,2-a]indole
CAS Name: 1,8-dimethyl-1,2-dihydroazeto[1,2-a]indole
IUPAC NAME: 1,8-dimethyl-1,2-dihydroazeto[1,2-a]indole
SYSTEMATIC NAME: 1,8-dimethyl-1,2-dihydroazeto[1,2-a]indole
MOLECULAR FORMULA: C12H13N
MOLECULAR WEIGHT: 171.23832
SMILES: CC1CN2C1=C(C3=CC=CC=C32)C
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Product OPENEYE NAME: boron; 2-[(6,6-dimethylnorpinan-2-yl)methyl]-1,3,5-trithiane
CAS Name: boron; 2-[(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)methyl]-1,3,5-trithiane
IUPAC NAME: boron; 2-[(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)methyl]-1,3,5-trithiane
SYSTEMATIC NAME: boron; 2-[(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)methyl]-1,3,5-trithiane
MOLECULAR FORMULA: C13H22BS3
MOLECULAR WEIGHT: 285.31978
SMILES: [B].CC1(C2CCC(C1C2)CC3SCSCS3)C
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Product OPENEYE NAME: 2-[(6,6-dimethylnorpinan-2-yl)methyl]-1,3,5-trithiane
CAS Name: 2-[(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)methyl]-1,3,5-trithiane
IUPAC NAME: 2-[(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)methyl]-1,3,5-trithiane
SYSTEMATIC NAME: 2-[(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)methyl]-1,3,5-trithiane
MOLECULAR FORMULA: C13H22S3
MOLECULAR WEIGHT: 274.50878
SMILES: CC1(C2CCC(C1C2)CC3SCSCS3)C
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Product OPENEYE NAME: boron; 2-[(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl]-1,3-dithiane
CAS Name: boron; 2-[(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl]-1,3-dithiane
IUPAC NAME: boron; 2-[(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl]-1,3-dithiane
SYSTEMATIC NAME: boron; 2-[(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl]-1,3-dithiane
MOLECULAR FORMULA: C14H22BS2
MOLECULAR WEIGHT: 265.26548
SMILES: [B].CC1(C2CC=C(C1C2)CC3SCCCS3)C
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Product OPENEYE NAME: 2-[(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl]-1,3-dithiane
CAS Name: 2-[(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl]-1,3-dithiane
IUPAC NAME: 2-[(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl]-1,3-dithiane
SYSTEMATIC NAME: 2-[(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl]-1,3-dithiane
MOLECULAR FORMULA: C14H22S2
MOLECULAR WEIGHT: 254.45448
SMILES: CC1(C2CC=C(C1C2)CC3SCCCS3)C
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Product OPENEYE NAME: boron; 2-[(6,6-dimethylnorpinan-2-yl)methyl]-1,3-dithiane 1-oxide
CAS Name: boron; 2-[(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)methyl]-1,3-dithiane 1-oxide
IUPAC NAME: boron; 2-[(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)methyl]-1,3-dithiane 1-oxide
SYSTEMATIC NAME: boron; 2-[(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)methyl]-1,3-dithiane 1-oxide
MOLECULAR FORMULA: C14H24BOS2
MOLECULAR WEIGHT: 283.28076
SMILES: [B].CC1(C2CCC(C1C2)CC3SCCCS3=O)C
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Product OPENEYE NAME: 2-[(6,6-dimethylnorpinan-2-yl)methyl]-1,3-dithiane 1-oxide
CAS Name: 2-[(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)methyl]-1,3-dithiane 1-oxide
IUPAC NAME: 2-[(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)methyl]-1,3-dithiane 1-oxide
SYSTEMATIC NAME: 2-[(6,6-dimethyl-4-bicyclo[3.1.1]heptanyl)methyl]-1,3-dithiane 1-oxide
MOLECULAR FORMULA: C14H24OS2
MOLECULAR WEIGHT: 272.46976
SMILES: CC1(C2CCC(C1C2)CC3SCCCS3=O)C
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Product OPENEYE NAME: 2-[(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl]-1,3,5-trithiane
CAS Name: 2-[(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl]-1,3,5-trithiane
IUPAC NAME: 2-[(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl]-1,3,5-trithiane
SYSTEMATIC NAME: 2-[(6,6-dimethyl-4-bicyclo[3.1.1]hept-3-enyl)methyl]-1,3,5-trithiane
MOLECULAR FORMULA: C13H20S3
MOLECULAR WEIGHT: 272.4929
SMILES: CC1(C2CC=C(C1C2)CC3SCSCS3)C
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Product OPENEYE NAME: boron; 2-(6,6-dimethylnorpinan-1-yl)-1,3-dithiane
CAS Name: boron; 2-(6,6-dimethyl-5-bicyclo[3.1.1]heptanyl)-1,3-dithiane
IUPAC NAME: boron; 2-(6,6-dimethyl-5-bicyclo[3.1.1]heptanyl)-1,3-dithiane
SYSTEMATIC NAME: boron; 2-(6,6-dimethyl-5-bicyclo[3.1.1]heptanyl)-1,3-dithiane
MOLECULAR FORMULA: C13H22BS2
MOLECULAR WEIGHT: 253.25478
SMILES: [B].CC1(C2CCCC1(C2)C3SCCCS3)C
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Product OPENEYE NAME: 2-(6,6-dimethylnorpinan-1-yl)-1,3-dithiane
CAS Name: 2-(6,6-dimethyl-5-bicyclo[3.1.1]heptanyl)-1,3-dithiane
IUPAC NAME: 2-(6,6-dimethyl-5-bicyclo[3.1.1]heptanyl)-1,3-dithiane
SYSTEMATIC NAME: 2-(6,6-dimethyl-5-bicyclo[3.1.1]heptanyl)-1,3-dithiane
MOLECULAR FORMULA: C13H22S2
MOLECULAR WEIGHT: 242.44378
SMILES: CC1(C2CCCC1(C2)C3SCCCS3)C
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Product OPENEYE NAME: 3-phenothiazin-10-ylphenol
CAS Name: 3-(10-phenothiazinyl)phenol
IUPAC NAME: 3-phenothiazin-10-ylphenol
SYSTEMATIC NAME: 3-phenothiazin-10-ylphenol
MOLECULAR FORMULA: C18H13NOS
MOLECULAR WEIGHT: 291.36692
SMILES: C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C4=CC(=CC=C4)O
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Product OPENEYE NAME: 3-[(1-phenyl-2-naphthyl)amino]phenol
CAS Name: 3-[(1-phenyl-2-naphthalenyl)amino]phenol
IUPAC NAME: 3-[(1-phenylnaphthalen-2-yl)amino]phenol
SYSTEMATIC NAME: 3-[(1-phenylnaphthalen-2-yl)amino]phenol
MOLECULAR FORMULA: C22H17NO
MOLECULAR WEIGHT: 311.37648
SMILES: C1=CC=C(C=C1)C2=C(C=CC3=CC=CC=C32)NC4=CC(=CC=C4)O
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Product OPENEYE NAME: 2-[2-(N-(2-hydroxyphenyl)anilino)benzoyl]benzoic acid
CAS Name: 2-[[2-(N-(2-hydroxyphenyl)anilino)phenyl]-oxomethyl]benzoic acid
IUPAC NAME: 2-[2-(N-(2-hydroxyphenyl)anilino)benzoyl]benzoic acid
SYSTEMATIC NAME: 2-[2-[(2-hydroxyphenyl)-phenyl-amino]phenyl]carbonylbenzoic acid
MOLECULAR FORMULA: C26H19NO4
MOLECULAR WEIGHT: 409.43336
SMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2C(=O)C3=CC=CC=C3C(=O)O)C4=CC=CC=C4O
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Product OPENEYE NAME: N-(3-methoxyphenyl)-1-phenyl-naphthalen-2-amine
CAS Name: N-(3-methoxyphenyl)-1-phenyl-2-naphthalenamine
IUPAC NAME: N-(3-methoxyphenyl)-1-phenylnaphthalen-2-amine
SYSTEMATIC NAME: N-(3-methoxyphenyl)-1-phenyl-naphthalen-2-amine
MOLECULAR FORMULA: C23H19NO
MOLECULAR WEIGHT: 325.40306
SMILES: COC1=CC=CC(=C1)NC2=C(C3=CC=CC=C3C=C2)C4=CC=CC=C4
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Product OPENEYE NAME: 1,4-dibenzylpiperazine-2,3-dione; pyrimidin-2-amine
CAS Name: 1,4-bis(phenylmethyl)piperazine-2,3-dione; 2-pyrimidinamine
IUPAC NAME: 1,4-dibenzylpiperazine-2,3-dione; pyrimidin-2-amine
SYSTEMATIC NAME: 1,4-bis(phenylmethyl)piperazine-2,3-dione; pyrimidin-2-amine
MOLECULAR FORMULA: C22H23N5O2
MOLECULAR WEIGHT: 389.45032
SMILES: C1CN(C(=O)C(=O)N1CC2=CC=CC=C2)CC3=CC=CC=C3.C1=CN=C(N=C1)N
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