(2,4-dimethylphenyl)-diphenyl-sulfanium; 3,5-dinitrobenzenesulfonate

Systemtic Name: (2,4-dimethylphenyl)-diphenyl-sulfanium; 3,5-dinitrobenzenesulfonate Openeye Name: (2,4-dimethylphenyl)-diphenyl-sulfonium; 3,5-dinitrobenzenesulfonate CAS Name: (2,4-dimethylphenyl)-diphenylsulfonium; 3,5-dinitrobenzenesulfonate IUPAC Name: (2,4-dimethylphenyl)-diphenylsulfanium; 3,5-dinitrobenzenesulfonate Traditional Name: (2,4-dimethylphenyl)-diphenyl-sulfonium; 3,5-dinitrobesylate Formula: C26H22N2O7S2 MolecularWeight: 538.59208

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H19S.C6H4N2O7S/c1-16-13-14-20(17(2)15-16)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19;9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15/h3-15H,1-2H3;1-3H,(H,13,14,15)/q+1;/p-1