Thursday, April 25, 2013

All Chemical Compounds Information




Product OPENEYE NAME: ethyl 4-acetoxy-1-methoxy-3-pentyl-naphthalene-2-carboxylate
CAS Name: 4-acetyloxy-1-methoxy-3-pentyl-2-naphthalenecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-acetyloxy-1-methoxy-3-pentylnaphthalene-2-carboxylate
SYSTEMATIC NAME: ethyl 4-acetyloxy-1-methoxy-3-pentyl-naphthalene-2-carboxylate
MOLECULAR FORMULA: C21H26O5
MOLECULAR WEIGHT: 358.42814
SMILES: CCCCCC1=C(C2=CC=CC=C2C(=C1C(=O)OCC)OC)OC(=O)C
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Product OPENEYE NAME: ethyl 4-acetoxy-3-ethyl-1-methoxy-naphthalene-2-carboxylate
CAS Name: 4-acetyloxy-3-ethyl-1-methoxy-2-naphthalenecarboxylic acid ethyl ester
IUPAC NAME: ethyl 4-acetyloxy-3-ethyl-1-methoxynaphthalene-2-carboxylate
SYSTEMATIC NAME: ethyl 4-acetyloxy-3-ethyl-1-methoxy-naphthalene-2-carboxylate
MOLECULAR FORMULA: C18H20O5
MOLECULAR WEIGHT: 316.3484
SMILES: CCC1=C(C2=CC=CC=C2C(=C1C(=O)OCC)OC)OC(=O)C
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Product OPENEYE NAME: ethyl 1-acetoxy-4-methoxy-3-pentyl-naphthalene-2-carboxylate
CAS Name: 1-acetyloxy-4-methoxy-3-pentyl-2-naphthalenecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-acetyloxy-4-methoxy-3-pentylnaphthalene-2-carboxylate
SYSTEMATIC NAME: ethyl 1-acetyloxy-4-methoxy-3-pentyl-naphthalene-2-carboxylate
MOLECULAR FORMULA: C21H26O5
MOLECULAR WEIGHT: 358.42814
SMILES: CCCCCC1=C(C2=CC=CC=C2C(=C1C(=O)OCC)OC(=O)C)OC
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Product OPENEYE NAME: ethyl 1-acetoxy-3-ethyl-4-methoxy-naphthalene-2-carboxylate
CAS Name: 1-acetyloxy-3-ethyl-4-methoxy-2-naphthalenecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-acetyloxy-3-ethyl-4-methoxynaphthalene-2-carboxylate
SYSTEMATIC NAME: ethyl 1-acetyloxy-3-ethyl-4-methoxy-naphthalene-2-carboxylate
MOLECULAR FORMULA: C18H20O5
MOLECULAR WEIGHT: 316.3484
SMILES: CCC1=C(C2=CC=CC=C2C(=C1C(=O)OCC)OC(=O)C)OC
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Product OPENEYE NAME: (2S,4S)-non-8-ene-2,4-diol
CAS Name: (2S,4S)-8-nonene-2,4-diol
IUPAC NAME: (2S,4S)-non-8-ene-2,4-diol
SYSTEMATIC NAME: (2S,4S)-non-8-ene-2,4-diol
MOLECULAR FORMULA: C9H18O2
MOLECULAR WEIGHT: 158.23802
SMILES: C[C@@H](C[C@H](CCCC=C)O)O
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Product OPENEYE NAME: (2S,4R)-non-8-ene-2,4-diol
CAS Name: (2S,4R)-8-nonene-2,4-diol
IUPAC NAME: (2S,4R)-non-8-ene-2,4-diol
SYSTEMATIC NAME: (2S,4R)-non-8-ene-2,4-diol
MOLECULAR FORMULA: C9H18O2
MOLECULAR WEIGHT: 158.23802
SMILES: C[C@@H](C[C@@H](CCCC=C)O)O
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Product OPENEYE NAME: (2R,4R)-non-8-ene-2,4-diol
CAS Name: (2R,4R)-8-nonene-2,4-diol
IUPAC NAME: (2R,4R)-non-8-ene-2,4-diol
SYSTEMATIC NAME: (2R,4R)-non-8-ene-2,4-diol
MOLECULAR FORMULA: C9H18O2
MOLECULAR WEIGHT: 158.23802
SMILES: C[C@H](C[C@@H](CCCC=C)O)O
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Product OPENEYE NAME: (2R,4S)-non-8-ene-2,4-diol
CAS Name: (2R,4S)-8-nonene-2,4-diol
IUPAC NAME: (2R,4S)-non-8-ene-2,4-diol
SYSTEMATIC NAME: (2R,4S)-non-8-ene-2,4-diol
MOLECULAR FORMULA: C9H18O2
MOLECULAR WEIGHT: 158.23802
SMILES: C[C@H](C[C@H](CCCC=C)O)O
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Product OPENEYE NAME: 1-dimethoxyphosphorylbutane-1,3-diol
CAS Name: 1-dimethoxyphosphorylbutane-1,3-diol
IUPAC NAME: 1-dimethoxyphosphorylbutane-1,3-diol
SYSTEMATIC NAME: 1-dimethoxyphosphorylbutane-1,3-diol
MOLECULAR FORMULA: C6H15O5P
MOLECULAR WEIGHT: 198.154061
SMILES: CC(CC(O)P(=O)(OC)OC)O
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Product OPENEYE NAME: (2R,3R,5S)-2-methoxy-5-methyl-2-oxo-1,2$l^{5}-oxaphospholan-3-ol
CAS Name: (2R,3R,5S)-2-methoxy-5-methyl-2-oxo-1,2$l^{5}-oxaphospholan-3-ol
IUPAC NAME: (2R,3R,5S)-2-methoxy-5-methyl-2-oxo-1,2$l^{5}-oxaphospholan-3-ol
SYSTEMATIC NAME: (2R,3R,5S)-2-methoxy-5-methyl-2-oxidanylidene-1,2$l^{5}-oxaphospholan-3-ol
MOLECULAR FORMULA: C5H11O4P
MOLECULAR WEIGHT: 166.112201
SMILES: C[C@H]1C[C@@H]([P@](=O)(O1)OC)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H16ClNO2
MOLECULAR WEIGHT: 265.73534
SMILES: CC12C=CC(N1Cl)(C3=C(C=CC(=C23)OC)OC)C
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Product OPENEYE NAME: 1,2-bis(3-chlorophenyl)guanidine
CAS Name: 1,2-bis(3-chlorophenyl)guanidine
IUPAC NAME: 1,2-bis(3-chlorophenyl)guanidine
SYSTEMATIC NAME: 1,2-bis(3-chlorophenyl)guanidine
MOLECULAR FORMULA: C13H11Cl2N3
MOLECULAR WEIGHT: 280.15254
SMILES: C1=CC(=CC(=C1)Cl)NC(=NC2=CC(=CC=C2)Cl)N
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Product OPENEYE NAME: 1-[(E)-3-chloroallyl]sulfanylbutane
CAS Name: 1-[[(E)-3-chloroprop-2-enyl]thio]butane
IUPAC NAME: 1-[(E)-3-chloroprop-2-enyl]sulfanylbutane
SYSTEMATIC NAME: 1-[(E)-3-chloranylprop-2-enyl]sulfanylbutane
MOLECULAR FORMULA: C7H13ClS
MOLECULAR WEIGHT: 164.69612
SMILES: CCCCSC/C=C/Cl
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Product OPENEYE NAME: 3,7-dimethylene-1,5-dithiocane
CAS Name: 3,7-dimethylene-1,5-dithiocane
IUPAC NAME: 3,7-dimethylidene-1,5-dithiocane
SYSTEMATIC NAME: 3,7-dimethylidene-1,5-dithiocane
MOLECULAR FORMULA: C8H12S2
MOLECULAR WEIGHT: 172.31088
SMILES: C=C1CSCC(=C)CSC1
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Product OPENEYE NAME: 3-methyl-2-(1-phenylethyl)phenol
CAS Name: 3-methyl-2-(1-phenylethyl)phenol
IUPAC NAME: 3-methyl-2-(1-phenylethyl)phenol
SYSTEMATIC NAME: 3-methyl-2-(1-phenylethyl)phenol
MOLECULAR FORMULA: C15H16O
MOLECULAR WEIGHT: 212.28694
SMILES: CC1=C(C(=CC=C1)O)C(C)C2=CC=CC=C2
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Product OPENEYE NAME: 5-methyl-2-(1-phenylethyl)phenol
CAS Name: 5-methyl-2-(1-phenylethyl)phenol
IUPAC NAME: 5-methyl-2-(1-phenylethyl)phenol
SYSTEMATIC NAME: 5-methyl-2-(1-phenylethyl)phenol
MOLECULAR FORMULA: C15H16O
MOLECULAR WEIGHT: 212.28694
SMILES: CC1=CC(=C(C=C1)C(C)C2=CC=CC=C2)O
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Product OPENEYE NAME: 5-methyl-2,4-bis(1-phenylethyl)phenol
CAS Name: 5-methyl-2,4-bis(1-phenylethyl)phenol
IUPAC NAME: 5-methyl-2,4-bis(1-phenylethyl)phenol
SYSTEMATIC NAME: 5-methyl-2,4-bis(1-phenylethyl)phenol
MOLECULAR FORMULA: C23H24O
MOLECULAR WEIGHT: 316.43606
SMILES: CC1=CC(=C(C=C1C(C)C2=CC=CC=C2)C(C)C3=CC=CC=C3)O
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