4-methylbenzenesulfonate; (2-oxidanylidenecyclohexyl)sulfanium

Systemtic Name: 4-methylbenzenesulfonate; (2-oxidanylidenecyclohexyl)sulfanium Openeye Name: 4-methylbenzenesulfonate; (2-oxocyclohexyl)sulfonium CAS Name: 4-methylbenzenesulfonate; (2-oxocyclohexyl)sulfonium IUPAC Name: 4-methylbenzenesulfonate; (2-oxocyclohexyl)sulfanium Traditional Name: (2-ketocyclohexyl)sulfonium tosylate Formula: C13H18O4S2 MolecularWeight: 302.40962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CCC(=O)C(C1)[SH2+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CCC(=O)C(C1)[SH2+]

InChI

InChI=1S/C7H8O3S.C6H10OS/c1-6-2-4-7(5-3-6)11(8,9)10;7-5-3-1-2-4-6(5)8/h2-5H,1H3,(H,8,9,10);6,8H,1-4H2