(5E,7E,9E)-14-(4-methylphenyl)-4,11-bis(oxidanyl)tetradeca-5,7,9-trienoic acid

Systemtic Name: (5E,7E,9E)-14-(4-methylphenyl)-4,11-bis(oxidanyl)tetradeca-5,7,9-trienoic acid Openeye Name: (5E,7E,9E)-4,11-dihydroxy-14-(p-tolyl)tetradeca-5,7,9-trienoic acid CAS Name: (5E,7E,9E)-4,11-dihydroxy-14-(4-methylphenyl)tetradeca-5,7,9-trienoic acid IUPAC Name: (5E,7E,9E)-4,11-dihydroxy-14-(4-methylphenyl)tetradeca-5,7,9-trienoic acid Traditional Name: (5E,7E,9E)-4,11-dihydroxy-14-(p-tolyl)tetradeca-5,7,9-trienoic acid Formula: C21H28O4 MolecularWeight: 344.44462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCCC(C=CC=CC=CC(CCC(=O)O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)CCCC(/C=C/C=C/C=C/C(CCC(=O)O)O)O

InChI

InChI=1S/C21H28O4/c1-17-11-13-18(14-12-17)7-6-10-19(22)8-4-2-3-5-9-20(23)15-16-21(24)25/h2-5,8-9,11-14,19-20,22-23H,6-7,10,15-16H2,1H3,(H,24,25)/b3-2+,8-4+,9-5+