methyl (E)-8-ethanoylsulfanyl-9-(4-pentylphenoxy)non-2-enoate

Systemtic Name: methyl (E)-8-ethanoylsulfanyl-9-(4-pentylphenoxy)non-2-enoate Openeye Name: methyl (E)-8-acetylsulfanyl-9-(4-pentylphenoxy)non-2-enoate CAS Name: (E)-8-(acetylthio)-9-(4-pentylphenoxy)-2-nonenoic acid methyl ester IUPAC Name: methyl (E)-8-acetylsulfanyl-9-(4-pentylphenoxy)non-2-enoate Traditional Name: (E)-8-(acetylthio)-9-(4-amylphenoxy)non-2-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(CCCCC=CC(=O)OC)SC(=O)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OCC(CCCC/C=C/C(=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/h10,13-17,22H,4-9,11-12,18H2,1-3H3/b13-10+