hexyl 5-[2,5-diethoxy-4-(6-hexoxy-2-methyl-6-oxidanylidene-hexan-2-yl)phenyl]-5-methyl-hexanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CCCC(C)(C)C1=CC(=C(C=C1OCC)C(C)(C)CCCC(=O)OCCCCCC)OCC

Isomeric SMILES

CCCCCCOC(=O)CCCC(C)(C)C1=CC(=C(C=C1OCC)C(C)(C)CCCC(=O)OCCCCCC)OCC

InChI

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