4-methylbenzenesulfonate; 2-oxidanylbenzoate

Systemtic Name: 4-methylbenzenesulfonate; 2-oxidanylbenzoate Openeye Name: 2-hydroxybenzoate; 4-methylbenzenesulfonate CAS Name: 2-hydroxybenzoate; 4-methylbenzenesulfonate IUPAC Name: 2-hydroxybenzoate; 4-methylbenzenesulfonate Traditional Name: salicylate tosylate Formula: C14H12O6S-2 MolecularWeight: 308.30648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C7H6O3/c1-6-2-4-7(5-3-6)11(8,9)10;8-6-4-2-1-3-5(6)7(9)10/h2-5H,1H3,(H,8,9,10);1-4,8H,(H,9,10)/p-2