methyl 5-oxidanylidene-5-[2-[(1E,3E)-5-oxidanyltrideca-1,3-dienyl]phenyl]pentanoate

Systemtic Name: methyl 5-oxidanylidene-5-[2-[(1E,3E)-5-oxidanyltrideca-1,3-dienyl]phenyl]pentanoate Openeye Name: methyl 5-[2-[(1E,3E)-5-hydroxytrideca-1,3-dienyl]phenyl]-5-oxo-pentanoate CAS Name: 5-[2-[(1E,3E)-5-hydroxytrideca-1,3-dienyl]phenyl]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[2-[(1E,3E)-5-hydroxytrideca-1,3-dienyl]phenyl]-5-oxopentanoate Traditional Name: 5-[2-[(1E,3E)-5-hydroxytrideca-1,3-dienyl]phenyl]-5-keto-valeric acid methyl ester Formula: C25H36O4 MolecularWeight: 400.55094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C=CC=CC1=CC=CC=C1C(=O)CCCC(=O)OC)O

Isomeric SMILES

CCCCCCCCC(/C=C/C=C/C1=CC=CC=C1C(=O)CCCC(=O)OC)O

InChI

InChI=1S/C25H36O4/c1-3-4-5-6-7-8-16-22(26)17-11-9-14-21-15-10-12-18-23(21)24(27)19-13-20-25(28)29-2/h9-12,14-15,17-18,22,26H,3-8,13,16,19-20H2,1-2H3/b14-9+,17-11+