3,5-diethyl-4-oxidanyl-6-oxidanylidene-tridecane-2,3,4-tricarboxylate

Systemtic Name: 3,5-diethyl-4-oxidanyl-6-oxidanylidene-tridecane-2,3,4-tricarboxylate Openeye Name: 3,5-diethyl-4-hydroxy-6-oxo-tridecane-2,3,4-tricarboxylate CAS Name: 3,5-diethyl-4-hydroxy-6-oxotridecane-2,3,4-tricarboxylate IUPAC Name: 3,5-diethyl-4-hydroxy-6-oxotridecane-2,3,4-tricarboxylate Traditional Name: 3,5-diethyl-4-hydroxy-6-keto-tridecane-2,3,4-tricarboxylate Formula: C20H31O8-3 MolecularWeight: 399.45534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34O8/c1-5-9-10-11-12-13-14(21)19(8-4,16(24)25)20(28,17(26)27)18(6-2,7-3)15(22)23/h28H,5-13H2,1-4H3,(H,22,23)(H,24,25)(H,26,27)/p-3