4-methylbenzenesulfonate; propanoate

Systemtic Name: 4-methylbenzenesulfonate; propanoate Openeye Name: 4-methylbenzenesulfonate; propanoate CAS Name: 4-methylbenzenesulfonate; propanoate IUPAC Name: 4-methylbenzenesulfonate; propanoate Traditional Name: propionate tosylate Formula: C10H12O5S-2 MolecularWeight: 244.26428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C3H6O2/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-3(4)5/h2-5H,1H3,(H,8,9,10);2H2,1H3,(H,4,5)/p-2