dimethyl-(2-methylsulfanyl-2-phenyl-ethenyl)sulfanium; 2,4,6-trinitrobenzenesulfonate

Systemtic Name: dimethyl-(2-methylsulfanyl-2-phenyl-ethenyl)sulfanium; 2,4,6-trinitrobenzenesulfonate Openeye Name: dimethyl-(2-methylsulfanyl-2-phenyl-vinyl)sulfonium; 2,4,6-trinitrobenzenesulfonate CAS Name: dimethyl-[2-(methylthio)-2-phenylethenyl]sulfonium; 2,4,6-trinitrobenzenesulfonate IUPAC Name: dimethyl-(2-methylsulfanyl-2-phenylethenyl)sulfanium; 2,4,6-trinitrobenzenesulfonate Traditional Name: dimethyl-[2-(methylthio)-2-phenyl-vinyl]sulfonium; 2,4,6-trinitrobesylate Formula: C17H17N3O9S3 MolecularWeight: 503.52658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15S2.C6H3N3O9S/c1-12-11(9-13(2)3)10-7-5-4-6-8-10;10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h4-9H,1-3H3;1-2H,(H,16,17,18)/q+1;/p-1