calcium 2-sulfobutanedioic acid

Systemtic Name: calcium 2-sulfobutanedioic acid Openeye Name: calcium 2-sulfobutanedioic acid CAS Name: calcium 2-sulfobutanedioic acid IUPAC Name: calcium 2-sulfobutanedioic acid Traditional Name: calcium 2-sulfosuccinic acid Formula: C4H6CaO7S+2 MolecularWeight: 238.22924

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(=O)O)S(=O)(=O)O)C(=O)O.[Ca+2]

Isomeric SMILES

C(C(C(=O)O)S(=O)(=O)O)C(=O)O.[Ca+2]

InChI

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