[4-(6-hexoxy-2-methyl-6-oxidanylidene-hexan-2-yl)-2,5-bis(oxidanyl)phenyl] 2-(3-methylbutyl)octanoate

Systemtic Name: [4-(6-hexoxy-2-methyl-6-oxidanylidene-hexan-2-yl)-2,5-bis(oxidanyl)phenyl] 2-(3-methylbutyl)octanoate Openeye Name: [4-(5-hexoxy-1,1-dimethyl-5-oxo-pentyl)-2,5-dihydroxy-phenyl] 2-isopentyloctanoate CAS Name: 2-(3-methylbutyl)octanoic acid [4-(6-hexoxy-2-methyl-6-oxohexan-2-yl)-2,5-dihydroxyphenyl] ester IUPAC Name: [4-(6-hexoxy-2-methyl-6-oxohexan-2-yl)-2,5-dihydroxyphenyl] 2-(3-methylbutyl)octanoate Traditional Name: 2-isoamylcaprylic acid [4-(5-hexoxy-5-keto-1,1-dimethyl-pentyl)-2,5-dihydroxy-phenyl] ester Formula: C32H54O6 MolecularWeight: 534.76756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCC(C)C)C(=O)OC1=C(C=C(C(=C1)O)C(C)(C)CCCC(=O)OCCCCCC)O

Isomeric SMILES

CCCCCCC(CCC(C)C)C(=O)OC1=C(C=C(C(=C1)O)C(C)(C)CCCC(=O)OCCCCCC)O

InChI

InChI=1S/C32H54O6/c1-7-9-11-13-16-25(19-18-24(3)4)31(36)38-29-23-27(33)26(22-28(29)34)32(5,6)20-15-17-30(35)37-21-14-12-10-8-2/h22-25,33-34H,7-21H2,1-6H3