methyl (E)-8-ethanoylsulfanyl-9-(4-pentylphenoxy)non-5-enoate

Systemtic Name: methyl (E)-8-ethanoylsulfanyl-9-(4-pentylphenoxy)non-5-enoate Openeye Name: methyl (E)-8-acetylsulfanyl-9-(4-pentylphenoxy)non-5-enoate CAS Name: (E)-8-(acetylthio)-9-(4-pentylphenoxy)-5-nonenoic acid methyl ester IUPAC Name: methyl (E)-8-acetylsulfanyl-9-(4-pentylphenoxy)non-5-enoate Traditional Name: (E)-8-(acetylthio)-9-(4-amylphenoxy)non-5-enoic acid methyl ester Formula: C23H34O4S MolecularWeight: 406.57866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OCC(CC=CCCCC(=O)OC)SC(=O)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OCC(C/C=C/CCCC(=O)OC)SC(=O)C

InChI

InChI=1S/C23H34O4S/c1-4-5-8-11-20-14-16-21(17-15-20)27-18-22(28-19(2)24)12-9-6-7-10-13-23(25)26-3/h6,9,14-17,22H,4-5,7-8,10-13,18H2,1-3H3/b9-6+