5,5-dibutyl-2-oxidanyl-4-oxidanylidene-nonane-1,2,3-tricarboxylate

Systemtic Name: 5,5-dibutyl-2-oxidanyl-4-oxidanylidene-nonane-1,2,3-tricarboxylate Openeye Name: 5,5-dibutyl-2-hydroxy-4-oxo-nonane-1,2,3-tricarboxylate CAS Name: 5,5-dibutyl-2-hydroxy-4-oxononane-1,2,3-tricarboxylate IUPAC Name: 5,5-dibutyl-2-hydroxy-4-oxononane-1,2,3-tricarboxylate Traditional Name: 5,5-dibutyl-2-hydroxy-4-keto-nonane-1,2,3-tricarboxylate Formula: C20H31O8-3 MolecularWeight: 399.45534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34O8/c1-4-7-10-19(11-8-5-2,12-9-6-3)16(23)15(17(24)25)20(28,18(26)27)13-14(21)22/h15,28H,4-13H2,1-3H3,(H,21,22)(H,24,25)(H,26,27)/p-3