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

Systemtic Name: hexadecyl 5-[2-ethoxy-4-(6-hexadecoxy-2-methyl-6-oxidanylidene-hexan-2-yl)-5-oxidanyl-phenyl]-5-methyl-hexanoate Openeye Name: hexadecyl 5-[2-ethoxy-4-(5-hexadecoxy-1,1-dimethyl-5-oxo-pentyl)-5-hydroxy-phenyl]-5-methyl-hexanoate CAS Name: 5-[2-ethoxy-4-(6-hexadecoxy-2-methyl-6-oxohexan-2-yl)-5-hydroxyphenyl]-5-methylhexanoic acid hexadecyl ester IUPAC Name: hexadecyl 5-[2-ethoxy-4-(6-hexadecoxy-2-methyl-6-oxohexan-2-yl)-5-hydroxyphenyl]-5-methylhexanoate Traditional Name: 5-[4-(5-cetyloxy-5-keto-1,1-dimethyl-pentyl)-2-ethoxy-5-hydroxy-phenyl]-5-methyl-hexanoic acid cetyl ester Formula: C54H98O6 MolecularWeight: 843.35232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CCCC(C)(C)C1=CC(=C(C=C1OCC)C(C)(C)CCCC(=O)OCCCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCC(C)(C)C1=CC(=C(C=C1OCC)C(C)(C)CCCC(=O)OCCCCCCCCCCCCCCCC)O

InChI

InChI=1S/C54H98O6/c1-8-11-13-15-17-19-21-23-25-27-29-31-33-35-43-59-51(56)39-37-41-53(4,5)47-46-50(58-10-3)48(45-49(47)55)54(6,7)42-38-40-52(57)60-44-36-34-32-30-28-26-24-22-20-18-16-14-12-9-2/h45-46,55H,8-44H2,1-7H3