2-oxidanylpropane-1,2,3-tricarboxylic acid; 2-sulfobutanedioate

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylic acid; 2-sulfobutanedioate Openeye Name: citric acid; 2-sulfobutanedioate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 2-sulfobutanedioate IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 2-sulfobutanedioate Traditional Name: citric acid; 2-sulfosuccinate Formula: C10H12O14S-2 MolecularWeight: 388.25888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8O7.C4H6O7S/c7-3(8)1-6(13,5(11)12)2-4(9)10;5-3(6)1-2(4(7)8)12(9,10)11/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2H,1H2,(H,5,6)(H,7,8)(H,9,10,11)/p-2