4-methylbenzenesulfonic acid; propan-2-yl prop-1-ene-2-sulfonate

Systemtic Name: 4-methylbenzenesulfonic acid; propan-2-yl prop-1-ene-2-sulfonate Openeye Name: isopropyl prop-1-ene-2-sulfonate; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; 1-propene-2-sulfonic acid propan-2-yl ester IUPAC Name: 4-methylbenzenesulfonic acid; propan-2-yl prop-1-ene-2-sulfonate Traditional Name: prop-1-ene-2-sulfonic acid isopropyl ester; tosylic acid Formula: C13H20O6S2 MolecularWeight: 336.4243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)OS(=O)(=O)C(=C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)OS(=O)(=O)C(=C)C

InChI

InChI=1S/C7H8O3S.C6H12O3S/c1-6-2-4-7(5-3-6)11(8,9)10;1-5(2)9-10(7,8)6(3)4/h2-5H,1H3,(H,8,9,10);5H,3H2,1-2,4H3