3,5-dinitrobenzenesulfonate; diphenyl-(2,4,6-trimethylphenyl)sulfanium

Systemtic Name: 3,5-dinitrobenzenesulfonate; diphenyl-(2,4,6-trimethylphenyl)sulfanium Openeye Name: 3,5-dinitrobenzenesulfonate; diphenyl-(2,4,6-trimethylphenyl)sulfonium CAS Name: 3,5-dinitrobenzenesulfonate; diphenyl-(2,4,6-trimethylphenyl)sulfonium IUPAC Name: 3,5-dinitrobenzenesulfonate; diphenyl-(2,4,6-trimethylphenyl)sulfanium Traditional Name: 3,5-dinitrobesylate; mesityl(diphenyl)sulfonium Formula: C27H24N2O7S2 MolecularWeight: 552.61866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)[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)C)[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/C21H21S.C6H4N2O7S/c1-16-14-17(2)21(18(3)15-16)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20;9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15/h4-15H,1-3H3;1-3H,(H,13,14,15)/q+1;/p-1