7-butyl-5-ethanoyl-6-oxidanyl-undecane-3,4,5-tricarboxylic acid

Systemtic Name: 7-butyl-5-ethanoyl-6-oxidanyl-undecane-3,4,5-tricarboxylic acid Openeye Name: 5-acetyl-7-butyl-6-hydroxy-undecane-3,4,5-tricarboxylic acid CAS Name: 5-acetyl-7-butyl-6-hydroxyundecane-3,4,5-tricarboxylic acid IUPAC Name: 5-acetyl-7-butyl-6-hydroxyundecane-3,4,5-tricarboxylic acid Traditional Name: 5-acetyl-7-butyl-6-hydroxy-undecane-3,4,5-tricarboxylic acid Formula: C20H34O8 MolecularWeight: 402.47916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)C(C(=O)O)(C(C(CCC)C(=O)O)(C(=O)C)C(=O)O)O

Isomeric SMILES

CCCCC(CCCC)C(C(=O)O)(C(C(CCC)C(=O)O)(C(=O)C)C(=O)O)O

InChI

InChI=1S/C20H34O8/c1-5-8-11-14(12-9-6-2)20(28,18(26)27)19(13(4)21,17(24)25)15(10-7-3)16(22)23/h14-15,28H,5-12H2,1-4H3,(H,22,23)(H,24,25)(H,26,27)