sodium 2-[3-carboxy-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoyl]oxy-2-(carboxymethyl)-4-oxidanyl-4-oxidanylidene-butanoate

Systemtic Name: sodium 2-[3-carboxy-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoyl]oxy-2-(carboxymethyl)-4-oxidanyl-4-oxidanylidene-butanoate Openeye Name: sodium 2-(3-carboxy-3,5-dihydroxy-5-oxo-pentanoyl)oxy-2-(carboxymethyl)-4-hydroxy-4-oxo-butanoate CAS Name: sodium 2-(3-carboxy-3,5-dihydroxy-1,5-dioxopentoxy)-2-(carboxymethyl)-4-hydroxy-4-oxobutanoate IUPAC Name: sodium 2-(3-carboxy-3,5-dihydroxy-5-oxopentanoyl)oxy-2-(carboxymethyl)-4-hydroxy-4-oxobutanoate Traditional Name: sodium 2-(3-carboxy-3,5-dihydroxy-5-keto-pentanoyl)oxy-2-(carboxymethyl)-4-hydroxy-4-keto-butyrate Formula: C12H13NaO13 MolecularWeight: 388.21359

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Descriptors Computed from Structure

Canonical SMILES:

C(C(=O)O)C(CC(=O)OC(CC(=O)O)(CC(=O)O)C(=O)[O-])(C(=O)O)O.[Na+]

Isomeric SMILES

C(C(=O)O)C(CC(=O)OC(CC(=O)O)(CC(=O)O)C(=O)[O-])(C(=O)O)O.[Na+]

InChI

InChI=1S/C12H14O13.Na/c13-5(14)1-11(24,9(20)21)4-8(19)25-12(10(22)23,2-6(15)16)3-7(17)18;/h24H,1-4H2,(H,13,14)(H,15,16)(H,17,18)(H,20,21)(H,22,23);/q;+1/p-1