benzenesulfonate; 2-sulfobutanedioate

Systemtic Name: benzenesulfonate; 2-sulfobutanedioate Openeye Name: benzenesulfonate; 2-sulfobutanedioate CAS Name: benzenesulfonate; 2-sulfobutanedioate IUPAC Name: benzenesulfonate; 2-sulfobutanedioate Traditional Name: 2-sulfosuccinate besylate Formula: C10H9O10S2-3 MolecularWeight: 353.30246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H6O3S.C4H6O7S/c7-10(8,9)6-4-2-1-3-5-6;5-3(6)1-2(4(7)8)12(9,10)11/h1-5H,(H,7,8,9);2H,1H2,(H,5,6)(H,7,8)(H,9,10,11)/p-3