4-methylbenzenesulfonate; prop-1-en-2-olate

Systemtic Name: 4-methylbenzenesulfonate; prop-1-en-2-olate Openeye Name: 4-methylbenzenesulfonate; prop-1-en-2-olate CAS Name: 4-methylbenzenesulfonate; 1-propen-2-olate IUPAC Name: 4-methylbenzenesulfonate; prop-1-en-2-olate Traditional Name: prop-1-en-2-olate tosylate Formula: C10H12O4S-2 MolecularWeight: 228.26488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C3H6O/c1-6-2-4-7(5-3-6)11(8,9)10;1-3(2)4/h2-5H,1H3,(H,8,9,10);4H,1H2,2H3/p-2