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4-methylbenzenesulfonate; tris(phenylmethyl)sulfanium

4-methylbenzenesulfonate; tris(phenylmethyl)sulfanium

Systemtic Name:4-methylbenzenesulfonate; tris(phenylmethyl)sulfanium
Openeye Name:4-methylbenzenesulfonate; tribenzylsulfonium
CAS Name:4-methylbenzenesulfonate; tris(phenylmethyl)sulfonium
IUPAC Name:4-methylbenzenesulfonate; tribenzylsulfanium
Traditional Name:tribenzylsulfonium tosylate
Formula: C28H28O3S2
MolecularWeight: 476.65012
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)C[S+](CC2=CC=CC=C2)CC3=CC=CC=C3


Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)C[S+](CC2=CC=CC=C2)CC3=CC=CC=C3


InChI

InChI=1S/C21H21S.C7H8O3S/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21;1-6-2-4-7(5-3-6)11(8,9)10/h1-15H,16-18H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1


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