4-(4-methylphenyl)sulfonyl-4-nitro-1,7-diphenyl-heptane-1,7-dione

Systemtic Name: 4-(4-methylphenyl)sulfonyl-4-nitro-1,7-diphenyl-heptane-1,7-dione Openeye Name: 4-nitro-1,7-diphenyl-4-(p-tolylsulfonyl)heptane-1,7-dione CAS Name: 4-(4-methylphenyl)sulfonyl-4-nitro-1,7-diphenylheptane-1,7-dione IUPAC Name: 4-(4-methylphenyl)sulfonyl-4-nitro-1,7-diphenylheptane-1,7-dione Traditional Name: 4-nitro-1,7-diphenyl-4-tosyl-heptane-1,7-dione Formula: C26H25NO6S MolecularWeight: 479.5448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CCC(=O)C2=CC=CC=C2)(CCC(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CCC(=O)C2=CC=CC=C2)(CCC(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H25NO6S/c1-20-12-14-23(15-13-20)34(32,33)26(27(30)31,18-16-24(28)21-8-4-2-5-9-21)19-17-25(29)22-10-6-3-7-11-22/h2-15H,16-19H2,1H3