calcium 2-(carboxymethyloxy)-3-sulfo-butanedioate

Systemtic Name: calcium 2-(carboxymethyloxy)-3-sulfo-butanedioate Openeye Name: calcium 2-(carboxymethyloxy)-3-sulfo-butanedioate CAS Name: calcium 2-(carboxymethyloxy)-3-sulfobutanedioate IUPAC Name: calcium 2-(carboxymethyloxy)-3-sulfobutanedioate Traditional Name: calcium 2-(carboxymethyloxy)-3-sulfo-succinate Formula: C6H6CaO10S MolecularWeight: 310.24884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8O10S.Ca/c7-2(8)1-16-3(5(9)10)4(6(11)12)17(13,14)15;/h3-4H,1H2,(H,7,8)(H,9,10)(H,11,12)(H,13,14,15);/q;+2/p-2