4,5,6-tricarboxyoxy-2-(2,4-dimethylhexyl)-3-ethyl-octanoic acid

Systemtic Name: 4,5,6-tricarboxyoxy-2-(2,4-dimethylhexyl)-3-ethyl-octanoic acid Openeye Name: 4,5,6-tricarboxyoxy-2-(2,4-dimethylhexyl)-3-ethyl-octanoic acid CAS Name: 4,5,6-tricarboxyoxy-2-(2,4-dimethylhexyl)-3-ethyloctanoic acid IUPAC Name: 4,5,6-tricarboxyoxy-2-(2,4-dimethylhexyl)-3-ethyloctanoic acid Traditional Name: 4,5,6-tricarboxyoxy-2-(2,4-dimethylhexyl)-3-ethyl-caprylic acid Formula: C21H36O11 MolecularWeight: 464.50394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H36O11/c1-6-11(4)9-12(5)10-14(18(22)23)13(7-2)16(31-20(26)27)17(32-21(28)29)15(8-3)30-19(24)25/h11-17H,6-10H2,1-5H3,(H,22,23)(H,24,25)(H,26,27)(H,28,29)