calcium 2-[1,2-bis(oxidanyl)-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioate

Systemtic Name: calcium 2-[1,2-bis(oxidanyl)-2-oxidanylidene-ethyl]-2-oxidanyl-butanedioate Openeye Name: calcium 2-(1,2-dihydroxy-2-oxo-ethyl)-2-hydroxy-butanedioate CAS Name: calcium 2-(1,2-dihydroxy-2-oxoethyl)-2-hydroxybutanedioate IUPAC Name: calcium 2-(1,2-dihydroxy-2-oxoethyl)-2-hydroxybutanedioate Traditional Name: calcium 2-(1,2-dihydroxy-2-keto-ethyl)-2-hydroxy-succinate Formula: C6H6CaO8 MolecularWeight: 246.18504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H8O8.Ca/c7-2(8)1-6(14,5(12)13)3(9)4(10)11;/h3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13);/q;+2/p-2