dimethyl(phenyl)sulfanium; 4-(phenylmethyl)benzenesulfonate

Systemtic Name: dimethyl(phenyl)sulfanium; 4-(phenylmethyl)benzenesulfonate Openeye Name: 4-benzylbenzenesulfonate; dimethyl(phenyl)sulfonium CAS Name: dimethyl(phenyl)sulfonium; 4-(phenylmethyl)benzenesulfonate IUPAC Name: 4-benzylbenzenesulfonate; dimethyl(phenyl)sulfanium Traditional Name: 4-benzylbesylate; dimethyl(phenyl)sulfonium Formula: C21H22O3S2 MolecularWeight: 386.52758

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Descriptors Computed from Structure

Canonical SMILES:

C[S+](C)C1=CC=CC=C1.C1=CC=C(C=C1)CC2=CC=C(C=C2)S(=O)(=O)[O-]

Isomeric SMILES

C[S+](C)C1=CC=CC=C1.C1=CC=C(C=C1)CC2=CC=C(C=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C13H12O3S.C8H11S/c14-17(15,16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11;1-9(2)8-6-4-3-5-7-8/h1-9H,10H2,(H,14,15,16);3-7H,1-2H3/q;+1/p-1