3-methylbutyl 5-[2-methoxy-4-[2-methyl-6-(3-methylbutoxy)-6-oxidanylidene-hexan-2-yl]-5-oxidanyl-phenyl]-5-methyl-hexanoate

Systemtic Name: 3-methylbutyl 5-[2-methoxy-4-[2-methyl-6-(3-methylbutoxy)-6-oxidanylidene-hexan-2-yl]-5-oxidanyl-phenyl]-5-methyl-hexanoate Openeye Name: isopentyl 5-[5-hydroxy-4-(5-isopentyloxy-1,1-dimethyl-5-oxo-pentyl)-2-methoxy-phenyl]-5-methyl-hexanoate CAS Name: 5-[5-hydroxy-2-methoxy-4-[2-methyl-6-(3-methylbutoxy)-6-oxohexan-2-yl]phenyl]-5-methylhexanoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 5-[5-hydroxy-2-methoxy-4-[2-methyl-6-(3-methylbutoxy)-6-oxohexan-2-yl]phenyl]-5-methylhexanoate Traditional Name: 5-[5-hydroxy-4-(5-isoamoxy-5-keto-1,1-dimethyl-pentyl)-2-methoxy-phenyl]-5-methyl-hexanoic acid isoamyl ester Formula: C31H52O6 MolecularWeight: 520.74098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CCCC(C)(C)C1=CC(=C(C=C1OC)C(C)(C)CCCC(=O)OCCC(C)C)O

Isomeric SMILES

CC(C)CCOC(=O)CCCC(C)(C)C1=CC(=C(C=C1OC)C(C)(C)CCCC(=O)OCCC(C)C)O

InChI

InChI=1S/C31H52O6/c1-22(2)14-18-36-28(33)12-10-16-30(5,6)24-21-27(35-9)25(20-26(24)32)31(7,8)17-11-13-29(34)37-19-15-23(3)4/h20-23,32H,10-19H2,1-9H3