5-butyl-7-ethanoyl-6-oxidanyl-undecane-4,5,6-tricarboxylate

Systemtic Name: 5-butyl-7-ethanoyl-6-oxidanyl-undecane-4,5,6-tricarboxylate Openeye Name: 5-acetyl-7-butyl-6-hydroxy-undecane-4,5,6-tricarboxylate CAS Name: 5-acetyl-7-butyl-6-hydroxyundecane-4,5,6-tricarboxylate IUPAC Name: 5-acetyl-7-butyl-6-hydroxyundecane-4,5,6-tricarboxylate Traditional Name: 5-acetyl-7-butyl-6-hydroxy-undecane-4,5,6-tricarboxylate Formula: C20H31O8-3 MolecularWeight: 399.45534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)(C(=O)[O-])C(C(=O)[O-])(C(CCCC)(C(=O)C)C(=O)[O-])O

Isomeric SMILES

CCCCC(CCCC)(C(=O)[O-])C(C(=O)[O-])(C(CCCC)(C(=O)C)C(=O)[O-])O

InChI

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