hexyl 5-methyl-5-[4-(2-methyl-6-oxidanylidene-heptan-2-yl)-2,5-bis(oxidanyl)phenyl]hexanoate

Systemtic Name: hexyl 5-methyl-5-[4-(2-methyl-6-oxidanylidene-heptan-2-yl)-2,5-bis(oxidanyl)phenyl]hexanoate Openeye Name: hexyl 5-[4-(1,1-dimethyl-5-oxo-hexyl)-2,5-dihydroxy-phenyl]-5-methyl-hexanoate CAS Name: 5-[2,5-dihydroxy-4-(2-methyl-6-oxoheptan-2-yl)phenyl]-5-methylhexanoic acid hexyl ester IUPAC Name: hexyl 5-[2,5-dihydroxy-4-(2-methyl-6-oxoheptan-2-yl)phenyl]-5-methylhexanoate Traditional Name: 5-[2,5-dihydroxy-4-(5-keto-1,1-dimethyl-hexyl)phenyl]-5-methyl-hexanoic acid hexyl ester Formula: C27H44O5 MolecularWeight: 448.63526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CCCC(C)(C)C1=C(C=C(C(=C1)O)C(C)(C)CCCC(=O)C)O

Isomeric SMILES

CCCCCCOC(=O)CCCC(C)(C)C1=C(C=C(C(=C1)O)C(C)(C)CCCC(=O)C)O

InChI

InChI=1S/C27H44O5/c1-7-8-9-10-17-32-25(31)14-12-16-27(5,6)22-19-23(29)21(18-24(22)30)26(3,4)15-11-13-20(2)28/h18-19,29-30H,7-17H2,1-6H3