hexadecyl 6-[4-(6-hexadecoxy-6-oxidanylidene-hexyl)-2-methoxy-5-oxidanyl-phenyl]hexanoate

Systemtic Name: hexadecyl 6-[4-(6-hexadecoxy-6-oxidanylidene-hexyl)-2-methoxy-5-oxidanyl-phenyl]hexanoate Openeye Name: hexadecyl 6-[4-(6-hexadecoxy-6-oxo-hexyl)-5-hydroxy-2-methoxy-phenyl]hexanoate CAS Name: 6-[4-(6-hexadecoxy-6-oxohexyl)-5-hydroxy-2-methoxyphenyl]hexanoic acid hexadecyl ester IUPAC Name: hexadecyl 6-[4-(6-hexadecoxy-6-oxohexyl)-5-hydroxy-2-methoxyphenyl]hexanoate Traditional Name: 6-[4-(6-cetyloxy-6-keto-hexyl)-5-hydroxy-2-methoxy-phenyl]hexanoic acid cetyl ester Formula: C51H92O6 MolecularWeight: 801.27258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CCCCCC1=CC(=C(C=C1OC)CCCCCC(=O)OCCCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCCCC1=CC(=C(C=C1OC)CCCCCC(=O)OCCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C51H92O6/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-36-42-56-50(53)40-34-30-32-38-46-45-49(55-3)47(44-48(46)52)39-33-31-35-41-51(54)57-43-37-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h44-45,52H,4-43H2,1-3H3