hexyl 3-[4-(4-hexoxy-2-methyl-4-oxidanylidene-butan-2-yl)-2,5-bis(oxidanyl)phenyl]-3-methyl-butanoate

Systemtic Name: hexyl 3-[4-(4-hexoxy-2-methyl-4-oxidanylidene-butan-2-yl)-2,5-bis(oxidanyl)phenyl]-3-methyl-butanoate Openeye Name: hexyl 3-[4-(3-hexoxy-1,1-dimethyl-3-oxo-propyl)-2,5-dihydroxy-phenyl]-3-methyl-butanoate CAS Name: 3-[4-(4-hexoxy-2-methyl-4-oxobutan-2-yl)-2,5-dihydroxyphenyl]-3-methylbutanoic acid hexyl ester IUPAC Name: hexyl 3-[4-(4-hexoxy-2-methyl-4-oxobutan-2-yl)-2,5-dihydroxyphenyl]-3-methylbutanoate Traditional Name: 3-[4-(3-hexoxy-3-keto-1,1-dimethyl-propyl)-2,5-dihydroxy-phenyl]-3-methyl-butyric acid hexyl ester Formula: C28H46O6 MolecularWeight: 478.66124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CC(C)(C)C1=CC(=C(C=C1O)C(C)(C)CC(=O)OCCCCCC)O

Isomeric SMILES

CCCCCCOC(=O)CC(C)(C)C1=CC(=C(C=C1O)C(C)(C)CC(=O)OCCCCCC)O

InChI

InChI=1S/C28H46O6/c1-7-9-11-13-15-33-25(31)19-27(3,4)21-17-24(30)22(18-23(21)29)28(5,6)20-26(32)34-16-14-12-10-8-2/h17-18,29-30H,7-16,19-20H2,1-6H3