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

Systemtic Name: hexadecyl 5-[4-(6-hexadecoxy-2-methyl-6-oxidanylidene-hexan-2-yl)-2,5-bis(oxidanyl)phenyl]-5-methyl-hexanoate Openeye Name: hexadecyl 5-[4-(5-hexadecoxy-1,1-dimethyl-5-oxo-pentyl)-2,5-dihydroxy-phenyl]-5-methyl-hexanoate CAS Name: 5-[4-(6-hexadecoxy-2-methyl-6-oxohexan-2-yl)-2,5-dihydroxyphenyl]-5-methylhexanoic acid hexadecyl ester IUPAC Name: hexadecyl 5-[4-(6-hexadecoxy-2-methyl-6-oxohexan-2-yl)-2,5-dihydroxyphenyl]-5-methylhexanoate Traditional Name: 5-[4-(5-cetyloxy-5-keto-1,1-dimethyl-pentyl)-2,5-dihydroxy-phenyl]-5-methyl-hexanoic acid cetyl ester Formula: C52H94O6 MolecularWeight: 815.29916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CCCC(C)(C)C1=CC(=C(C=C1O)C(C)(C)CCCC(=O)OCCCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCC(C)(C)C1=CC(=C(C=C1O)C(C)(C)CCCC(=O)OCCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C52H94O6/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41-57-49(55)37-35-39-51(3,4)45-43-48(54)46(44-47(45)53)52(5,6)40-36-38-50(56)58-42-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h43-44,53-54H,7-42H2,1-6H3