tris(4-methylpentyl) 2-oxidanyl-4-oxidanylidene-pentane-1,2,3-tricarboxylate

Systemtic Name: tris(4-methylpentyl) 2-oxidanyl-4-oxidanylidene-pentane-1,2,3-tricarboxylate Openeye Name: triisohexyl 2-hydroxy-4-oxo-pentane-1,2,3-tricarboxylate CAS Name: 2-hydroxy-4-oxopentane-1,2,3-tricarboxylic acid tris(4-methylpentyl) ester IUPAC Name: tris(4-methylpentyl) 2-hydroxy-4-oxopentane-1,2,3-tricarboxylate Traditional Name: 2-hydroxy-4-keto-pentane-1,2,3-tricarboxylic acid triisohexyl ester Formula: C26H46O8 MolecularWeight: 486.63864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC(=O)CC(C(C(=O)C)C(=O)OCCCC(C)C)(C(=O)OCCCC(C)C)O

Isomeric SMILES

CC(C)CCCOC(=O)CC(C(C(=O)C)C(=O)OCCCC(C)C)(C(=O)OCCCC(C)C)O

InChI

InChI=1S/C26H46O8/c1-18(2)11-8-14-32-22(28)17-26(31,25(30)34-16-10-13-20(5)6)23(21(7)27)24(29)33-15-9-12-19(3)4/h18-20,23,31H,8-17H2,1-7H3