dimethyl(phenyl)sulfanium; 4-(4-methylphenyl)sulfonyloxybenzenesulfonate

Systemtic Name: dimethyl(phenyl)sulfanium; 4-(4-methylphenyl)sulfonyloxybenzenesulfonate Openeye Name: dimethyl(phenyl)sulfonium; 4-(p-tolylsulfonyloxy)benzenesulfonate CAS Name: dimethyl(phenyl)sulfonium; 4-(4-methylphenyl)sulfonyloxybenzenesulfonate IUPAC Name: dimethyl(phenyl)sulfanium; 4-(4-methylphenyl)sulfonyloxybenzenesulfonate Traditional Name: dimethyl(phenyl)sulfonium; 4-tosyloxybesylate Formula: C21H22O6S3 MolecularWeight: 466.59078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)S(=O)(=O)[O-].C[S+](C)C1=CC=CC=C1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)S(=O)(=O)[O-].C[S+](C)C1=CC=CC=C1

InChI

InChI=1S/C13H12O6S2.C8H11S/c1-10-2-6-13(7-3-10)21(17,18)19-11-4-8-12(9-5-11)20(14,15)16;1-9(2)8-6-4-3-5-7-8/h2-9H,1H3,(H,14,15,16);3-7H,1-2H3/q;+1/p-1