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

Systemtic Name: dimethyl-(4-methylphenyl)sulfanium; 2,4,6-trinitrobenzenesulfonic acid Openeye Name: dimethyl(p-tolyl)sulfonium; 2,4,6-trinitrobenzenesulfonic acid CAS Name: dimethyl-(4-methylphenyl)sulfonium; 2,4,6-trinitrobenzenesulfonic acid IUPAC Name: dimethyl-(4-methylphenyl)sulfanium; 2,4,6-trinitrobenzenesulfonic acid Traditional Name: dimethyl(p-tolyl)sulfonium; 2,4,6-trinitrobesylic acid Formula: C15H16N3O9S2+ MolecularWeight: 446.43224

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C9H13S.C6H3N3O9S/c1-8-4-6-9(7-5-8)10(2)3;10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h4-7H,1-3H3;1-2H,(H,16,17,18)/q+1;