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

Systemtic Name: hexadecyl 5-[4-(6-hexadecoxy-2-methyl-6-oxidanylidene-hexan-2-yl)-2-methoxy-5-oxidanyl-phenyl]-5-methyl-hexanoate Openeye Name: hexadecyl 5-[4-(5-hexadecoxy-1,1-dimethyl-5-oxo-pentyl)-5-hydroxy-2-methoxy-phenyl]-5-methyl-hexanoate CAS Name: 5-[4-(6-hexadecoxy-2-methyl-6-oxohexan-2-yl)-5-hydroxy-2-methoxyphenyl]-5-methylhexanoic acid hexadecyl ester IUPAC Name: hexadecyl 5-[4-(6-hexadecoxy-2-methyl-6-oxohexan-2-yl)-5-hydroxy-2-methoxyphenyl]-5-methylhexanoate Traditional Name: 5-[4-(5-cetyloxy-5-keto-1,1-dimethyl-pentyl)-5-hydroxy-2-methoxy-phenyl]-5-methyl-hexanoic acid cetyl ester Formula: C53H96O6 MolecularWeight: 829.32574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CCCC(C)(C)C1=CC(=C(C=C1OC)C(C)(C)CCCC(=O)OCCCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCC(C)(C)C1=CC(=C(C=C1OC)C(C)(C)CCCC(=O)OCCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C53H96O6/c1-8-10-12-14-16-18-20-22-24-26-28-30-32-34-42-58-50(55)38-36-40-52(3,4)46-45-49(57-7)47(44-48(46)54)53(5,6)41-37-39-51(56)59-43-35-33-31-29-27-25-23-21-19-17-15-13-11-9-2/h44-45,54H,8-43H2,1-7H3