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

Systemtic Name: hexyl 5-[5-methoxy-4-(2-methyl-4-octoxy-4-oxidanylidene-butan-2-yl)-2-oxidanyl-phenyl]-5-methyl-hexanoate Openeye Name: hexyl 5-[4-(1,1-dimethyl-3-octoxy-3-oxo-propyl)-2-hydroxy-5-methoxy-phenyl]-5-methyl-hexanoate CAS Name: 5-[2-hydroxy-5-methoxy-4-(2-methyl-4-octoxy-4-oxobutan-2-yl)phenyl]-5-methylhexanoic acid hexyl ester IUPAC Name: hexyl 5-[2-hydroxy-5-methoxy-4-(2-methyl-4-octoxy-4-oxobutan-2-yl)phenyl]-5-methylhexanoate Traditional Name: 5-[2-hydroxy-4-(3-keto-1,1-dimethyl-3-octoxy-propyl)-5-methoxy-phenyl]-5-methyl-hexanoic acid hexyl ester Formula: C33H56O6 MolecularWeight: 548.79414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CC(C)(C)C1=CC(=C(C=C1OC)C(C)(C)CCCC(=O)OCCCCCC)O

Isomeric SMILES

CCCCCCCCOC(=O)CC(C)(C)C1=CC(=C(C=C1OC)C(C)(C)CCCC(=O)OCCCCCC)O

InChI

InChI=1S/C33H56O6/c1-8-10-12-14-15-17-22-39-31(36)25-33(5,6)27-23-28(34)26(24-29(27)37-7)32(3,4)20-18-19-30(35)38-21-16-13-11-9-2/h23-24,34H,8-22,25H2,1-7H3