4,5,6-tricarboxyoxy-3-ethyl-2-(4-methyl-1-oxidanyl-hexyl)octanoic acid

Systemtic Name: 4,5,6-tricarboxyoxy-3-ethyl-2-(4-methyl-1-oxidanyl-hexyl)octanoic acid Openeye Name: 4,5,6-tricarboxyoxy-3-ethyl-2-(1-hydroxy-4-methyl-hexyl)octanoic acid CAS Name: 4,5,6-tricarboxyoxy-3-ethyl-2-(1-hydroxy-4-methylhexyl)octanoic acid IUPAC Name: 4,5,6-tricarboxyoxy-3-ethyl-2-(1-hydroxy-4-methylhexyl)octanoic acid Traditional Name: 4,5,6-tricarboxyoxy-3-ethyl-2-(1-hydroxy-4-methyl-hexyl)caprylic acid Formula: C20H34O12 MolecularWeight: 466.47676

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCC(C(C(CC)C(C(C(CC)OC(=O)O)OC(=O)O)OC(=O)O)C(=O)O)O

Isomeric SMILES

CCC(C)CCC(C(C(CC)C(C(C(CC)OC(=O)O)OC(=O)O)OC(=O)O)C(=O)O)O

InChI

InChI=1S/C20H34O12/c1-5-10(4)8-9-12(21)14(17(22)23)11(6-2)15(31-19(26)27)16(32-20(28)29)13(7-3)30-18(24)25/h10-16,21H,5-9H2,1-4H3,(H,22,23)(H,24,25)(H,26,27)(H,28,29)