(5E,9E,13E)-9-methoxycarbonyl-5,13-dimethyl-octadeca-5,9,13-trien-17-ynoic acid

Systemtic Name: (5E,9E,13E)-9-methoxycarbonyl-5,13-dimethyl-octadeca-5,9,13-trien-17-ynoic acid Openeye Name: (5E,9E,13E)-9-methoxycarbonyl-5,13-dimethyl-octadeca-5,9,13-trien-17-ynoic acid CAS Name: (5E,9E,13E)-9-methoxycarbonyl-5,13-dimethyloctadeca-5,9,13-trien-17-ynoic acid IUPAC Name: (5E,9E,13E)-9-methoxycarbonyl-5,13-dimethyloctadeca-5,9,13-trien-17-ynoic acid Traditional Name: (5E,9E,13E)-9-carbomethoxy-5,13-dimethyl-octadeca-5,9,13-trien-17-ynoic acid Formula: C22H32O4 MolecularWeight: 360.48708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCC(=CCCC#C)C)C(=O)OC)CCCC(=O)O

Isomeric SMILES

C/C(=C\CC/C(=C\CC/C(=C/CCC#C)/C)/C(=O)OC)/CCCC(=O)O

InChI

InChI=1S/C22H32O4/c1-5-6-7-11-18(2)12-8-15-20(22(25)26-4)16-9-13-19(3)14-10-17-21(23)24/h1,11,13,15H,6-10,12,14,16-17H2,2-4H3,(H,23,24)/b18-11+,19-13+,20-15+