4-methylbenzenesulfonate; (2,4,6-trimethylphenyl)sulfanium

Systemtic Name: 4-methylbenzenesulfonate; (2,4,6-trimethylphenyl)sulfanium Openeye Name: 4-methylbenzenesulfonate; (2,4,6-trimethylphenyl)sulfonium CAS Name: 4-methylbenzenesulfonate; (2,4,6-trimethylphenyl)sulfonium IUPAC Name: 4-methylbenzenesulfonate; (2,4,6-trimethylphenyl)sulfanium Traditional Name: mesitylsulfonium tosylate Formula: C16H20O3S2 MolecularWeight: 324.4582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC(=C(C(=C1)C)[SH2+])C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC(=C(C(=C1)C)[SH2+])C

InChI

InChI=1S/C9H12S.C7H8O3S/c1-6-4-7(2)9(10)8(3)5-6;1-6-2-4-7(5-3-6)11(8,9)10/h4-5,10H,1-3H3;2-5H,1H3,(H,8,9,10)