2-oxidanylbutane-1,2,4-tricarboxylate; 2-oxidanylidenepentanedioate

Systemtic Name: 2-oxidanylbutane-1,2,4-tricarboxylate; 2-oxidanylidenepentanedioate Openeye Name: 2-hydroxybutane-1,2,4-tricarboxylate; 2-oxopentanedioate CAS Name: 2-hydroxybutane-1,2,4-tricarboxylate; 2-oxopentanedioate IUPAC Name: 2-hydroxybutane-1,2,4-tricarboxylate; 2-oxopentanedioate Traditional Name: 2-hydroxybutane-1,2,4-tricarboxylate; 2-ketoglutarate Formula: C12H11O12-5 MolecularWeight: 347.20854

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)[O-])C(=O)C(=O)[O-].C(CC(CC(=O)[O-])(C(=O)[O-])O)C(=O)[O-]

Isomeric SMILES

C(CC(=O)[O-])C(=O)C(=O)[O-].C(CC(CC(=O)[O-])(C(=O)[O-])O)C(=O)[O-]

InChI

InChI=1S/C7H10O7.C5H6O5/c8-4(9)1-2-7(14,6(12)13)3-5(10)11;6-3(5(9)10)1-2-4(7)8/h14H,1-3H2,(H,8,9)(H,10,11)(H,12,13);1-2H2,(H,7,8)(H,9,10)/p-5