hexyl 5-[5-butoxy-4-(2-methyl-4-octoxy-4-oxidanylidene-butan-2-yl)-2-oxidanyl-phenyl]-5-methyl-hexanoate

Systemtic Name: hexyl 5-[5-butoxy-4-(2-methyl-4-octoxy-4-oxidanylidene-butan-2-yl)-2-oxidanyl-phenyl]-5-methyl-hexanoate Openeye Name: hexyl 5-[5-butoxy-4-(1,1-dimethyl-3-octoxy-3-oxo-propyl)-2-hydroxy-phenyl]-5-methyl-hexanoate CAS Name: 5-[5-butoxy-2-hydroxy-4-(2-methyl-4-octoxy-4-oxobutan-2-yl)phenyl]-5-methylhexanoic acid hexyl ester IUPAC Name: hexyl 5-[5-butoxy-2-hydroxy-4-(2-methyl-4-octoxy-4-oxobutan-2-yl)phenyl]-5-methylhexanoate Traditional Name: 5-[5-butoxy-2-hydroxy-4-(3-keto-1,1-dimethyl-3-octoxy-propyl)phenyl]-5-methyl-hexanoic acid hexyl ester Formula: C36H62O6 MolecularWeight: 590.87388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CC(C)(C)C1=CC(=C(C=C1OCCCC)C(C)(C)CCCC(=O)OCCCCCC)O

Isomeric SMILES

CCCCCCCCOC(=O)CC(C)(C)C1=CC(=C(C=C1OCCCC)C(C)(C)CCCC(=O)OCCCCCC)O

InChI

InChI=1S/C36H62O6/c1-8-11-14-16-17-19-25-42-34(39)28-36(6,7)30-26-31(37)29(27-32(30)40-23-13-10-3)35(4,5)22-20-21-33(38)41-24-18-15-12-9-2/h26-27,37H,8-25,28H2,1-7H3