disodium 2-[3-carboxy-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoyl]oxy-2-(carboxymethyl)butanedioate

Systemtic Name: disodium 2-[3-carboxy-3,5-bis(oxidanyl)-5-oxidanylidene-pentanoyl]oxy-2-(carboxymethyl)butanedioate Openeye Name: disodium 2-(3-carboxy-3,5-dihydroxy-5-oxo-pentanoyl)oxy-2-(carboxymethyl)butanedioate CAS Name: disodium 2-(3-carboxy-3,5-dihydroxy-1,5-dioxopentoxy)-2-(carboxymethyl)butanedioate IUPAC Name: disodium 2-(3-carboxy-3,5-dihydroxy-5-oxopentanoyl)oxy-2-(carboxymethyl)butanedioate Traditional Name: disodium 2-(3-carboxy-3,5-dihydroxy-5-keto-pentanoyl)oxy-2-(carboxymethyl)succinate Formula: C12H12Na2O13 MolecularWeight: 410.19542

Click to see the large picture

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+].[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+].[Na+]

InChI

InChI=1S/C12H14O13.2Na/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;2*+1/p-2