hexadecyl 6-diethoxyphosphoryl-3-methyl-3-oxidanyl-hexanoate

Systemtic Name: hexadecyl 6-diethoxyphosphoryl-3-methyl-3-oxidanyl-hexanoate Openeye Name: hexadecyl 6-diethoxyphosphoryl-3-hydroxy-3-methyl-hexanoate CAS Name: 6-diethoxyphosphoryl-3-hydroxy-3-methylhexanoic acid hexadecyl ester IUPAC Name: hexadecyl 6-diethoxyphosphoryl-3-hydroxy-3-methylhexanoate Traditional Name: 6-diethoxyphosphoryl-3-hydroxy-3-methyl-hexanoic acid cetyl ester Formula: C27H55O6P MolecularWeight: 506.695761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CC(C)(CCCP(=O)(OCC)OCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CC(C)(CCCP(=O)(OCC)OCC)O

InChI

InChI=1S/C27H55O6P/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-23-31-26(28)25-27(4,29)22-21-24-34(30,32-6-2)33-7-3/h29H,5-25H2,1-4H3