benzenesulfonate; (4-methylphenyl)carbonylsulfanium

Systemtic Name: benzenesulfonate; (4-methylphenyl)carbonylsulfanium Openeye Name: benzenesulfonate; (4-methylbenzoyl)sulfonium CAS Name: benzenesulfonate; [(4-methylphenyl)-oxomethyl]sulfonium IUPAC Name: benzenesulfonate; (4-methylbenzoyl)sulfanium Traditional Name: p-toluoylsulfonium besylate Formula: C14H14O4S2 MolecularWeight: 310.38856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8OS.C6H6O3S/c1-6-2-4-7(5-3-6)8(9)10;7-10(8,9)6-4-2-1-3-5-6/h2-5H,1H3,(H,9,10);1-5H,(H,7,8,9)