dimethyl(phenyl)sulfanium; 3-methoxy-4-(4-methylphenyl)sulfonyloxy-benzenesulfonate

Systemtic Name: dimethyl(phenyl)sulfanium; 3-methoxy-4-(4-methylphenyl)sulfonyloxy-benzenesulfonate Openeye Name: dimethyl(phenyl)sulfonium; 3-methoxy-4-(p-tolylsulfonyloxy)benzenesulfonate CAS Name: dimethyl(phenyl)sulfonium; 3-methoxy-4-(4-methylphenyl)sulfonyloxybenzenesulfonate IUPAC Name: dimethyl(phenyl)sulfanium; 3-methoxy-4-(4-methylphenyl)sulfonyloxybenzenesulfonate Traditional Name: dimethyl(phenyl)sulfonium; 3-methoxy-4-tosyloxy-besylate Formula: C22H24O7S3 MolecularWeight: 496.61676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14O7S2.C8H11S/c1-10-3-5-11(6-4-10)23(18,19)21-13-8-7-12(22(15,16)17)9-14(13)20-2;1-9(2)8-6-4-3-5-7-8/h3-9H,1-2H3,(H,15,16,17);3-7H,1-2H3/q;+1/p-1