benzenesulfonate; 4-methylbenzenesulfonic acid

Systemtic Name: benzenesulfonate; 4-methylbenzenesulfonic acid Openeye Name: benzenesulfonate; 4-methylbenzenesulfonic acid CAS Name: benzenesulfonate; 4-methylbenzenesulfonic acid IUPAC Name: benzenesulfonate; 4-methylbenzenesulfonic acid Traditional Name: tosylic acid besylate Formula: C13H13O6S2- MolecularWeight: 329.36872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C6H6O3S/c1-6-2-4-7(5-3-6)11(8,9)10;7-10(8,9)6-4-2-1-3-5-6/h2-5H,1H3,(H,8,9,10);1-5H,(H,7,8,9)/p-1