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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C=CC=CC1=CC=CC=C1CCCC(=O)C(=O)OC)O

Isomeric SMILES

CCCCCCCCC(/C=C/C=C/C1=CC=CC=C1CCCC(=O)C(=O)OC)O

InChI

InChI=1S/C25H36O4/c1-3-4-5-6-7-8-18-23(26)19-12-11-16-21-14-9-10-15-22(21)17-13-20-24(27)25(28)29-2/h9-12,14-16,19,23,26H,3-8,13,17-18,20H2,1-2H3/b16-11+,19-12+