4-methylbenzenesulfonate; methyl-(4-phenylsulfanylphenyl)oxidanium

Systemtic Name: 4-methylbenzenesulfonate; methyl-(4-phenylsulfanylphenyl)oxidanium Openeye Name: 4-methylbenzenesulfonate; methyl-(4-phenylsulfanylphenyl)oxonium CAS Name: 4-methylbenzenesulfonate; methyl-[4-(phenylthio)phenyl]oxonium IUPAC Name: 4-methylbenzenesulfonate; methyl-(4-phenylsulfanylphenyl)oxidanium Traditional Name: methyl-[4-(phenylthio)phenyl]oxonium tosylate Formula: C20H20O4S2 MolecularWeight: 388.5004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[OH+]C1=CC=C(C=C1)SC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[OH+]C1=CC=C(C=C1)SC2=CC=CC=C2

InChI

InChI=1S/C13H12OS.C7H8O3S/c1-14-11-7-9-13(10-8-11)15-12-5-3-2-4-6-12;1-6-2-4-7(5-3-6)11(8,9)10/h2-10H,1H3;2-5H,1H3,(H,8,9,10)