[(E)-heptadec-4-en-9-yl] 3-methyl-3-[(2,4,6-trimethoxyphenyl)methylsulfanyl]butanoate

Systemtic Name: [(E)-heptadec-4-en-9-yl] 3-methyl-3-[(2,4,6-trimethoxyphenyl)methylsulfanyl]butanoate Openeye Name: [(E)-1-octylnon-5-enyl] 3-methyl-3-[(2,4,6-trimethoxyphenyl)methylsulfanyl]butanoate CAS Name: 3-methyl-3-[(2,4,6-trimethoxyphenyl)methylthio]butanoic acid [(E)-heptadec-4-en-9-yl] ester IUPAC Name: [(E)-heptadec-4-en-9-yl] 3-methyl-3-[(2,4,6-trimethoxyphenyl)methylsulfanyl]butanoate Traditional Name: 3-methyl-3-[(2,4,6-trimethoxybenzyl)thio]butyric acid [(E)-1-octylnon-5-enyl] ester Formula: C32H54O5S MolecularWeight: 550.83316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCC=CCCC)OC(=O)CC(C)(C)SCC1=C(C=C(C=C1OC)OC)OC

Isomeric SMILES

CCCCCCCCC(CCC/C=C/CCC)OC(=O)CC(C)(C)SCC1=C(C=C(C=C1OC)OC)OC

InChI

InChI=1S/C32H54O5S/c1-8-10-12-14-16-18-20-26(21-19-17-15-13-11-9-2)37-31(33)24-32(3,4)38-25-28-29(35-6)22-27(34-5)23-30(28)36-7/h12,14,22-23,26H,8-11,13,15-21,24-25H2,1-7H3/b14-12+