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

Systemtic Name: hexyl 5-methyl-5-[4-(2-methyl-4-octoxy-4-oxidanylidene-butan-2-yl)-2,5-bis(oxidanyl)phenyl]hexanoate Openeye Name: hexyl 5-[4-(1,1-dimethyl-3-octoxy-3-oxo-propyl)-2,5-dihydroxy-phenyl]-5-methyl-hexanoate CAS Name: 5-[2,5-dihydroxy-4-(2-methyl-4-octoxy-4-oxobutan-2-yl)phenyl]-5-methylhexanoic acid hexyl ester IUPAC Name: hexyl 5-[2,5-dihydroxy-4-(2-methyl-4-octoxy-4-oxobutan-2-yl)phenyl]-5-methylhexanoate Traditional Name: 5-[2,5-dihydroxy-4-(3-keto-1,1-dimethyl-3-octoxy-propyl)phenyl]-5-methyl-hexanoic acid hexyl ester Formula: C32H54O6 MolecularWeight: 534.76756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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