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

Systemtic Name: octyl 5-methyl-5-[4-(2-methyl-6-octoxy-6-oxidanylidene-hexan-2-yl)-2,5-bis(oxidanyl)phenyl]hexanoate Openeye Name: octyl 5-[4-(1,1-dimethyl-5-octoxy-5-oxo-pentyl)-2,5-dihydroxy-phenyl]-5-methyl-hexanoate CAS Name: 5-[2,5-dihydroxy-4-(2-methyl-6-octoxy-6-oxohexan-2-yl)phenyl]-5-methylhexanoic acid octyl ester IUPAC Name: octyl 5-[2,5-dihydroxy-4-(2-methyl-6-octoxy-6-oxohexan-2-yl)phenyl]-5-methylhexanoate Traditional Name: 5-[2,5-dihydroxy-4-(5-keto-1,1-dimethyl-5-octoxy-pentyl)phenyl]-5-methyl-hexanoic acid octyl ester Formula: C36H62O6 MolecularWeight: 590.87388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CCCC(C)(C)C1=CC(=C(C=C1O)C(C)(C)CCCC(=O)OCCCCCCCC)O

Isomeric SMILES

CCCCCCCCOC(=O)CCCC(C)(C)C1=CC(=C(C=C1O)C(C)(C)CCCC(=O)OCCCCCCCC)O

InChI

InChI=1S/C36H62O6/c1-7-9-11-13-15-17-25-41-33(39)21-19-23-35(3,4)29-27-32(38)30(28-31(29)37)36(5,6)24-20-22-34(40)42-26-18-16-14-12-10-8-2/h27-28,37-38H,7-26H2,1-6H3