methyl-(4-methylphenyl)-(4-methylphenyl)sulfanyl-sulfanium; 2,4,6-trinitrobenzenesulfonic acid

Systemtic Name: methyl-(4-methylphenyl)-(4-methylphenyl)sulfanyl-sulfanium; 2,4,6-trinitrobenzenesulfonic acid Openeye Name: methyl-(p-tolyl)-(p-tolylsulfanyl)sulfonium; 2,4,6-trinitrobenzenesulfonic acid CAS Name: methyl-(4-methylphenyl)-[(4-methylphenyl)thio]sulfonium; 2,4,6-trinitrobenzenesulfonic acid IUPAC Name: methyl-(4-methylphenyl)-(4-methylphenyl)sulfanylsulfanium; 2,4,6-trinitrobenzenesulfonic acid Traditional Name: methyl-(p-tolyl)-(p-tolylthio)sulfonium; 2,4,6-trinitrobesylic acid Formula: C21H20N3O9S3+ MolecularWeight: 554.5932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17S2.C6H3N3O9S/c1-12-4-8-14(9-5-12)16-17(3)15-10-6-13(2)7-11-15;10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h4-11H,1-3H3;1-2H,(H,16,17,18)/q+1;