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

Systemtic Name: hexyl 5-[4-(4-hexoxy-2-methyl-4-oxidanylidene-butan-2-yl)-5-methoxy-2-oxidanyl-phenyl]-5-methyl-hexanoate Openeye Name: hexyl 5-[4-(3-hexoxy-1,1-dimethyl-3-oxo-propyl)-2-hydroxy-5-methoxy-phenyl]-5-methyl-hexanoate CAS Name: 5-[4-(4-hexoxy-2-methyl-4-oxobutan-2-yl)-2-hydroxy-5-methoxyphenyl]-5-methylhexanoic acid hexyl ester IUPAC Name: hexyl 5-[4-(4-hexoxy-2-methyl-4-oxobutan-2-yl)-2-hydroxy-5-methoxyphenyl]-5-methylhexanoate Traditional Name: 5-[4-(3-hexoxy-3-keto-1,1-dimethyl-propyl)-2-hydroxy-5-methoxy-phenyl]-5-methyl-hexanoic acid hexyl ester Formula: C31H52O6 MolecularWeight: 520.74098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CCCC(C)(C)C1=C(C=C(C(=C1)OC)C(C)(C)CC(=O)OCCCCCC)O

Isomeric SMILES

CCCCCCOC(=O)CCCC(C)(C)C1=C(C=C(C(=C1)OC)C(C)(C)CC(=O)OCCCCCC)O

InChI

InChI=1S/C31H52O6/c1-8-10-12-14-19-36-28(33)17-16-18-30(3,4)24-22-27(35-7)25(21-26(24)32)31(5,6)23-29(34)37-20-15-13-11-9-2/h21-22,32H,8-20,23H2,1-7H3