methyl 9-methylsulfanyl-5-oxidanyl-9-oxidanylidene-4-[3-[(1E,5E)-3-oxidanylundeca-1,5-dienyl]phenyl]nonanoate

Systemtic Name: methyl 9-methylsulfanyl-5-oxidanyl-9-oxidanylidene-4-[3-[(1E,5E)-3-oxidanylundeca-1,5-dienyl]phenyl]nonanoate Openeye Name: methyl 5-hydroxy-4-[3-[(1E,5E)-3-hydroxyundeca-1,5-dienyl]phenyl]-9-methylsulfanyl-9-oxo-nonanoate CAS Name: 5-hydroxy-4-[3-[(1E,5E)-3-hydroxyundeca-1,5-dienyl]phenyl]-9-(methylthio)-9-oxononanoic acid methyl ester IUPAC Name: methyl 5-hydroxy-4-[3-[(1E,5E)-3-hydroxyundeca-1,5-dienyl]phenyl]-9-methylsulfanyl-9-oxononanoate Traditional Name: 5-hydroxy-4-[3-[(1E,5E)-3-hydroxyundeca-1,5-dienyl]phenyl]-9-keto-9-(methylthio)pelargonic acid methyl ester Formula: C28H42O5S MolecularWeight: 490.69508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC(C=CC1=CC(=CC=C1)C(CCC(=O)OC)C(CCCC(=O)SC)O)O

Isomeric SMILES

CCCCC/C=C/CC(/C=C/C1=CC(=CC=C1)C(CCC(=O)OC)C(CCCC(=O)SC)O)O

InChI

InChI=1S/C28H42O5S/c1-4-5-6-7-8-9-14-24(29)18-17-22-12-10-13-23(21-22)25(19-20-27(31)33-2)26(30)15-11-16-28(32)34-3/h8-10,12-13,17-18,21,24-26,29-30H,4-7,11,14-16,19-20H2,1-3H3/b9-8+,18-17+