6-butoxy-5-ethanoyl-undecane-4,5,6-tricarboxylate

Systemtic Name: 6-butoxy-5-ethanoyl-undecane-4,5,6-tricarboxylate Openeye Name: 5-acetyl-6-butoxy-undecane-4,5,6-tricarboxylate CAS Name: 5-acetyl-6-butoxyundecane-4,5,6-tricarboxylate IUPAC Name: 5-acetyl-6-butoxyundecane-4,5,6-tricarboxylate Traditional Name: 5-acetyl-6-butoxy-undecane-4,5,6-tricarboxylate Formula: C20H31O8-3 MolecularWeight: 399.45534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34O8/c1-5-8-11-15(16(22)23)20(18(26)27,28-13-10-7-3)19(14(4)21,17(24)25)12-9-6-2/h15H,5-13H2,1-4H3,(H,22,23)(H,24,25)(H,26,27)/p-3