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

Systemtic Name: octyl 5-[2-butoxy-4-(2-methyl-6-octoxy-6-oxidanylidene-hexan-2-yl)-5-oxidanyl-phenyl]-5-methyl-hexanoate Openeye Name: octyl 5-[2-butoxy-4-(1,1-dimethyl-5-octoxy-5-oxo-pentyl)-5-hydroxy-phenyl]-5-methyl-hexanoate CAS Name: 5-[2-butoxy-5-hydroxy-4-(2-methyl-6-octoxy-6-oxohexan-2-yl)phenyl]-5-methylhexanoic acid octyl ester IUPAC Name: octyl 5-[2-butoxy-5-hydroxy-4-(2-methyl-6-octoxy-6-oxohexan-2-yl)phenyl]-5-methylhexanoate Traditional Name: 5-[2-butoxy-5-hydroxy-4-(5-keto-1,1-dimethyl-5-octoxy-pentyl)phenyl]-5-methyl-hexanoic acid octyl ester Formula: C40H70O6 MolecularWeight: 646.9802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H70O6/c1-8-11-14-16-18-20-29-45-37(42)24-22-26-39(4,5)33-32-36(44-28-13-10-3)34(31-35(33)41)40(6,7)27-23-25-38(43)46-30-21-19-17-15-12-9-2/h31-32,41H,8-30H2,1-7H3