Tuesday, August 30, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 5-nitro-2-[2-(4-nitro-2-sulfo-phenyl)vinyl]benzenesulfonic acid
CAS Name: 5-nitro-2-[2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid
IUPAC NAME: 5-nitro-2-[2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid
SYSTEMATIC NAME: 5-nitro-2-[2-(4-nitro-2-sulfo-phenyl)ethenyl]benzenesulfonic acid
MOLECULAR FORMULA: C14H10N2O10S2
MOLECULAR WEIGHT: 430.3666
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)O)C=CC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)O
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Product OPENEYE NAME: octa-1,7-diene
CAS Name: octa-1,7-diene
IUPAC NAME: octa-1,7-diene
SYSTEMATIC NAME: octa-1,7-diene
MOLECULAR FORMULA: C8H14
MOLECULAR WEIGHT: 110.19676
SMILES: C=CCCCCC=C
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Product OPENEYE NAME: octa-1,6-diene
CAS Name: octa-1,6-diene
IUPAC NAME: octa-1,6-diene
SYSTEMATIC NAME: octa-1,6-diene
MOLECULAR FORMULA: C8H14
MOLECULAR WEIGHT: 110.19676
SMILES: CC=CCCCC=C
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Product OPENEYE NAME: 2,4-dimethylfuran
CAS Name: 2,4-dimethylfuran
IUPAC NAME: 2,4-dimethylfuran
SYSTEMATIC NAME: 2,4-dimethylfuran
MOLECULAR FORMULA: C6H8O
MOLECULAR WEIGHT: 96.12712
SMILES: CC1=CC(=CO1)C
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Product OPENEYE NAME: N,N-diethylhydroxylamine
CAS Name: N,N-diethylhydroxylamine
IUPAC NAME: N,N-diethylhydroxylamine
SYSTEMATIC NAME: N,N-diethylhydroxylamine
MOLECULAR FORMULA: C4H11NO
MOLECULAR WEIGHT: 89.13624
SMILES: CCN(CC)O
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Product OPENEYE NAME: 2-(4-chlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
CAS Name: 2-(4-chlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
IUPAC NAME: 2-(4-chlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
SYSTEMATIC NAME: 2-(4-chlorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
MOLECULAR FORMULA: C11H4Cl7N3
MOLECULAR WEIGHT: 426.34056
SMILES: C1=CC(=CC=C1C2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)Cl
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Product OPENEYE NAME: 2-[2-(2-naphthyl)ethylidene]propanedinitrile
CAS Name: 2-[2-(2-naphthalenyl)ethylidene]propanedinitrile
IUPAC NAME: 2-(2-naphthalen-2-ylethylidene)propanedinitrile
SYSTEMATIC NAME: 2-(2-naphthalen-2-ylethylidene)propanedinitrile
MOLECULAR FORMULA: C15H10N2
MOLECULAR WEIGHT: 218.2533
SMILES: C1=CC=C2C=C(C=CC2=C1)CC=C(C#N)C#N
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Product OPENEYE NAME: (3R,4S,5R,6R)-6-methyltetrahydropyran-2,3,4,5-tetrol
CAS Name: (3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol
IUPAC NAME: (3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol
SYSTEMATIC NAME: (3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol
MOLECULAR FORMULA: C6H12O5
MOLECULAR WEIGHT: 164.15648
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H](C(O1)O)O)O)O
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Product OPENEYE NAME: 5-[(3S,5R,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
CAS Name: 5-[(3S,5R,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-pyranone
IUPAC NAME: 5-[(3S,5R,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
SYSTEMATIC NAME: 5-[(3S,5R,10S,12R,13S,14S,17R)-10,13-dimethyl-3,12,14-tris(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
MOLECULAR FORMULA: C24H34O5
MOLECULAR WEIGHT: 402.52376
SMILES: C[C@]12CC[C@@H](C[C@H]1CCC3C2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O)O
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