Monday, June 25, 2012

All Chemical Compounds Information




Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H7N2O3-
MOLECULAR WEIGHT: 263.22768
SMILES: C1=CC=C2C(=C1)C(=O)C3=C4N2C(=NC(=O)C4=CC=C3)[O-]
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Product OPENEYE NAME: 4,5-di(nonyl)phthalonitrile
CAS Name: 4,5-di(nonyl)benzene-1,2-dicarbonitrile
IUPAC NAME: 4,5-di(nonyl)benzene-1,2-dicarbonitrile
SYSTEMATIC NAME: 4,5-di(nonyl)benzene-1,2-dicarbonitrile
MOLECULAR FORMULA: C26H40N2
MOLECULAR WEIGHT: 380.6092
SMILES: CCCCCCCCCC1=C(C=C(C(=C1)C#N)C#N)CCCCCCCCC
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Product OPENEYE NAME: 4,5-di(undecyl)phthalonitrile
CAS Name: 4,5-di(undecyl)benzene-1,2-dicarbonitrile
IUPAC NAME: 4,5-di(undecyl)benzene-1,2-dicarbonitrile
SYSTEMATIC NAME: 4,5-di(undecyl)benzene-1,2-dicarbonitrile
MOLECULAR FORMULA: C30H48N2
MOLECULAR WEIGHT: 436.71552
SMILES: CCCCCCCCCCCC1=C(C=C(C(=C1)C#N)C#N)CCCCCCCCCCC
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Product OPENEYE NAME: 4,5-di(tridecyl)phthalonitrile
CAS Name: 4,5-di(tridecyl)benzene-1,2-dicarbonitrile
IUPAC NAME: 4,5-di(tridecyl)benzene-1,2-dicarbonitrile
SYSTEMATIC NAME: 4,5-di(tridecyl)benzene-1,2-dicarbonitrile
MOLECULAR FORMULA: C34H56N2
MOLECULAR WEIGHT: 492.82184
SMILES: CCCCCCCCCCCCCC1=C(C=C(C(=C1)C#N)C#N)CCCCCCCCCCCCC
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C104H162N8
MOLECULAR WEIGHT: 1524.45268
SMILES: CCCCCCCCCC1=CC2=C3NC(=C2C=C1CCCCCCCCC)N=C4C5=CC(=C(C=C5C(=N4)N=C6C7=CC(=C(C=C7C(=N6)N=C8C9=CC(=C(C=C9C(=N3)N8)CCCCCCCCC)CCCCCCCCC)CCCCCCCCC)CCCCCCCCC)CCCCCCCCC)CCCCCCCCC
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C120H194N8
MOLECULAR WEIGHT: 1748.87796
SMILES: CCCCCCCCCCCC1=CC2=C3NC(=C2C=C1CCCCCCCCCCC)N=C4C5=CC(=C(C=C5C(=N4)N=C6C7=CC(=C(C=C7C(=N6)N=C8C9=CC(=C(C=C9C(=N3)N8)CCCCCCCCCCC)CCCCCCCCCCC)CCCCCCCCCCC)CCCCCCCCCCC)CCCCCCCCCCC)CCCCCCCCCCC
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C136H226N8
MOLECULAR WEIGHT: 1973.30324
SMILES: CCCCCCCCCCCCCC1=CC2=C3NC(=C2C=C1CCCCCCCCCCCCC)N=C4C5=CC(=C(C=C5C(=N4)N=C6C7=CC(=C(C=C7C(=N6)N=C8C9=CC(=C(C=C9C(=N3)N8)CCCCCCCCCCCCC)CCCCCCCCCCCCC)CCCCCCCCCCCCC)CCCCCCCCCCCCC)CCCCCCCCCCCCC)CCCCCCCCCCCCC
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C104H160N8-2
MOLECULAR WEIGHT: 1522.4368
SMILES: CCCCCCCCCC1=CC2=C3[N-]C(=C2C=C1CCCCCCCCC)N=C4C5=CC(=C(C=C5C(=N4)N=C6C7=CC(=C(C=C7C(=N6)N=C8C9=CC(=C(C=C9C(=N3)[N-]8)CCCCCCCCC)CCCCCCCCC)CCCCCCCCC)CCCCCCCCC)CCCCCCCCC)CCCCCCCCC
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C120H192N8-2
MOLECULAR WEIGHT: 1746.86208
SMILES: CCCCCCCCCCCC1=CC2=C3[N-]C(=C2C=C1CCCCCCCCCCC)N=C4C5=CC(=C(C=C5C(=N4)N=C6C7=CC(=C(C=C7C(=N6)N=C8C9=CC(=C(C=C9C(=N3)[N-]8)CCCCCCCCCCC)CCCCCCCCCCC)CCCCCCCCCCC)CCCCCCCCCCC)CCCCCCCCCCC)CCCCCCCCCCC
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C136H224N8-2
MOLECULAR WEIGHT: 1971.28736
SMILES: CCCCCCCCCCCCCC1=CC2=C3[N-]C(=C2C=C1CCCCCCCCCCCCC)N=C4C5=CC(=C(C=C5C(=N4)N=C6C7=CC(=C(C=C7C(=N6)N=C8C9=CC(=C(C=C9C(=N3)[N-]8)CCCCCCCCCCCCC)CCCCCCCCCCCCC)CCCCCCCCCCCCC)CCCCCCCCCCCCC)CCCCCCCCCCCCC)CCCCCCCCCCCCC
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C96H90N24O16
MOLECULAR WEIGHT: 1835.893
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)C3=NC4=C(N3)N=CN=C4N)COC5=CC=C(C=C5)C6=C7C=CC(=C(C8=NC(=C(C9=CC=C(N9)C(=C1C=CC6=N1)C1=CC=C(C=C1)OC[C@@H]1[C@@H]2[C@H]([C@@H](O1)C1=NC3=C(N1)N=CN=C3N)OC(O2)(C)C)C1=CC=C(C=C1)OC[C@@H]1[C@@H]2[C@H]([C@@H](O1)C1=NC3=C(N1)N=C
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Product OPENEYE NAME: [(3aS,4S,6R,6aR)-4-(6-amino-7H-purin-8-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methylbenzenesulfonate
CAS Name: 4-methylbenzenesulfonic acid [(3aS,4S,6R,6aR)-4-(6-amino-7H-purin-8-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl ester
IUPAC NAME: [(3aS,4S,6R,6aR)-4-(6-amino-7H-purin-8-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methylbenzenesulfonate
SYSTEMATIC NAME: [(3aS,4S,6R,6aR)-4-(6-azanyl-7H-purin-8-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methylbenzenesulfonate
MOLECULAR FORMULA: C20H23N5O6S
MOLECULAR WEIGHT: 461.49152
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@@H]3[C@H]([C@@H](O2)C4=NC5=C(N4)C(=NC=N5)N)OC(O3)(C)C
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