3,5-dinitrobenzenesulfonate; (4-methylphenyl)-diphenyl-sulfanium

Systemtic Name: 3,5-dinitrobenzenesulfonate; (4-methylphenyl)-diphenyl-sulfanium Openeye Name: 3,5-dinitrobenzenesulfonate; diphenyl(p-tolyl)sulfonium CAS Name: 3,5-dinitrobenzenesulfonate; (4-methylphenyl)-diphenylsulfonium IUPAC Name: 3,5-dinitrobenzenesulfonate; (4-methylphenyl)-diphenylsulfanium Traditional Name: 3,5-dinitrobesylate; diphenyl(p-tolyl)sulfonium Formula: C25H20N2O7S2 MolecularWeight: 524.5655

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17S.C6H4N2O7S/c1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15/h2-15H,1H3;1-3H,(H,13,14,15)/q+1;/p-1