hexadecyl 2,2,3-trimethyl-3-oxidanyl-4-oxidanylidene-pentanoate

Systemtic Name: hexadecyl 2,2,3-trimethyl-3-oxidanyl-4-oxidanylidene-pentanoate Openeye Name: hexadecyl 3-hydroxy-2,2,3-trimethyl-4-oxo-pentanoate CAS Name: 3-hydroxy-2,2,3-trimethyl-4-oxopentanoic acid hexadecyl ester IUPAC Name: hexadecyl 3-hydroxy-2,2,3-trimethyl-4-oxopentanoate Traditional Name: 3-hydroxy-4-keto-2,2,3-trimethyl-valeric acid cetyl ester Formula: C24H46O4 MolecularWeight: 398.61964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(C)(C)C(C)(C(=O)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C(C)(C)C(C)(C(=O)C)O

InChI

InChI=1S/C24H46O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28-22(26)23(3,4)24(5,27)21(2)25/h27H,6-20H2,1-5H3