4-methylbenzenesulfonate ethanoate

Systemtic Name: 4-methylbenzenesulfonate ethanoate Openeye Name: 4-methylbenzenesulfonate acetate CAS Name: 4-methylbenzenesulfonate acetate IUPAC Name: 4-methylbenzenesulfonate acetate Traditional Name: acetate tosylate Formula: C9H10O5S-2 MolecularWeight: 230.2377

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C2H4O2/c1-6-2-4-7(5-3-6)11(8,9)10;1-2(3)4/h2-5H,1H3,(H,8,9,10);1H3,(H,3,4)/p-2