propane-1,2-diol; 2-sulfobutanedioate

Systemtic Name: propane-1,2-diol; 2-sulfobutanedioate Openeye Name: propane-1,2-diol; 2-sulfobutanedioate CAS Name: propane-1,2-diol; 2-sulfobutanedioate IUPAC Name: propane-1,2-diol; 2-sulfobutanedioate Traditional Name: propane-1,2-diol; 2-sulfosuccinate Formula: C7H12O9S-2 MolecularWeight: 272.22978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C4H6O7S.C3H8O2/c5-3(6)1-2(4(7)8)12(9,10)11;1-3(5)2-4/h2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);3-5H,2H2,1H3/p-2