dimethyl(3-methylsulfanylbutan-2-yl)sulfanium; 2,4,6-trinitrobenzenesulfonate

Systemtic Name: dimethyl(3-methylsulfanylbutan-2-yl)sulfanium; 2,4,6-trinitrobenzenesulfonate Openeye Name: dimethyl-(1-methyl-2-methylsulfanyl-propyl)sulfonium; 2,4,6-trinitrobenzenesulfonate CAS Name: dimethyl-[3-(methylthio)butan-2-yl]sulfonium; 2,4,6-trinitrobenzenesulfonate IUPAC Name: dimethyl(3-methylsulfanylbutan-2-yl)sulfanium; 2,4,6-trinitrobenzenesulfonate Traditional Name: dimethyl-[1-methyl-2-(methylthio)propyl]sulfonium; 2,4,6-trinitrobesylate Formula: C13H19N3O9S3 MolecularWeight: 457.49966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H17S2.C6H3N3O9S/c1-6(8-3)7(2)9(4)5;10-7(11)3-1-4(8(12)13)6(19(16,17)18)5(2-3)9(14)15/h6-7H,1-5H3;1-2H,(H,16,17,18)/q+1;/p-1