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

Systemtic Name: hexadecyl 5-[2-butoxy-4-(6-hexadecoxy-2-methyl-6-oxidanylidene-hexan-2-yl)-5-oxidanyl-phenyl]-5-methyl-hexanoate Openeye Name: hexadecyl 5-[2-butoxy-4-(5-hexadecoxy-1,1-dimethyl-5-oxo-pentyl)-5-hydroxy-phenyl]-5-methyl-hexanoate CAS Name: 5-[2-butoxy-4-(6-hexadecoxy-2-methyl-6-oxohexan-2-yl)-5-hydroxyphenyl]-5-methylhexanoic acid hexadecyl ester IUPAC Name: hexadecyl 5-[2-butoxy-4-(6-hexadecoxy-2-methyl-6-oxohexan-2-yl)-5-hydroxyphenyl]-5-methylhexanoate Traditional Name: 5-[2-butoxy-4-(5-cetyloxy-5-keto-1,1-dimethyl-pentyl)-5-hydroxy-phenyl]-5-methyl-hexanoic acid cetyl ester Formula: C56H102O6 MolecularWeight: 871.40548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CCCC(C)(C)C1=CC(=C(C=C1OCCCC)C(C)(C)CCCC(=O)OCCCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCC(C)(C)C1=CC(=C(C=C1OCCCC)C(C)(C)CCCC(=O)OCCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C56H102O6/c1-8-11-14-16-18-20-22-24-26-28-30-32-34-36-45-61-53(58)40-38-42-55(4,5)49-48-52(60-44-13-10-3)50(47-51(49)57)56(6,7)43-39-41-54(59)62-46-37-35-33-31-29-27-25-23-21-19-17-15-12-9-2/h47-48,57H,8-46H2,1-7H3