hexadecyl 3-methyl-3-oxidanyl-6-phosphonato-hexanoate

Systemtic Name: hexadecyl 3-methyl-3-oxidanyl-6-phosphonato-hexanoate Openeye Name: hexadecyl 3-hydroxy-3-methyl-6-phosphonato-hexanoate CAS Name: 3-hydroxy-3-methyl-6-phosphonatohexanoic acid hexadecyl ester IUPAC Name: hexadecyl 3-hydroxy-3-methyl-6-phosphonatohexanoate Traditional Name: 3-hydroxy-3-methyl-6-phosphonato-hexanoic acid cetyl ester Formula: C23H45O6P-2 MolecularWeight: 448.573561

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CC(C)(CCCP(=O)([O-])[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CC(C)(CCCP(=O)([O-])[O-])O

InChI

InChI=1S/C23H47O6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-29-22(24)21-23(2,25)18-17-20-30(26,27)28/h25H,3-21H2,1-2H3,(H2,26,27,28)/p-2