pentyl 5-[2-methoxy-4-(2-methyl-6-oxidanylidene-6-pentoxy-hexan-2-yl)-5-oxidanyl-phenyl]-5-methyl-hexanoate

Systemtic Name: pentyl 5-[2-methoxy-4-(2-methyl-6-oxidanylidene-6-pentoxy-hexan-2-yl)-5-oxidanyl-phenyl]-5-methyl-hexanoate Openeye Name: pentyl 5-[4-(1,1-dimethyl-5-oxo-5-pentoxy-pentyl)-5-hydroxy-2-methoxy-phenyl]-5-methyl-hexanoate CAS Name: 5-[5-hydroxy-2-methoxy-4-(2-methyl-6-oxo-6-pentoxyhexan-2-yl)phenyl]-5-methylhexanoic acid pentyl ester IUPAC Name: pentyl 5-[5-hydroxy-2-methoxy-4-(2-methyl-6-oxo-6-pentoxyhexan-2-yl)phenyl]-5-methylhexanoate Traditional Name: 5-[4-(5-amoxy-5-keto-1,1-dimethyl-pentyl)-5-hydroxy-2-methoxy-phenyl]-5-methyl-hexanoic acid amyl ester Formula: C31H52O6 MolecularWeight: 520.74098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CCCC(C)(C)C1=CC(=C(C=C1OC)C(C)(C)CCCC(=O)OCCCCC)O

Isomeric SMILES

CCCCCOC(=O)CCCC(C)(C)C1=CC(=C(C=C1OC)C(C)(C)CCCC(=O)OCCCCC)O

InChI

InChI=1S/C31H52O6/c1-8-10-12-20-36-28(33)16-14-18-30(3,4)24-23-27(35-7)25(22-26(24)32)31(5,6)19-15-17-29(34)37-21-13-11-9-2/h22-23,32H,8-21H2,1-7H3