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

Systemtic Name: (5E,9E,13E)-9-methoxycarbonyl-5,13-dimethyl-nonadeca-5,9,13-trien-17-ynoic acid Openeye Name: (5E,9E,13E)-9-methoxycarbonyl-5,13-dimethyl-nonadeca-5,9,13-trien-17-ynoic acid CAS Name: (5E,9E,13E)-9-methoxycarbonyl-5,13-dimethylnonadeca-5,9,13-trien-17-ynoic acid IUPAC Name: (5E,9E,13E)-9-methoxycarbonyl-5,13-dimethylnonadeca-5,9,13-trien-17-ynoic acid Traditional Name: (5E,9E,13E)-9-carbomethoxy-5,13-dimethyl-nonadeca-5,9,13-trien-17-ynoic acid Formula: C23H34O4 MolecularWeight: 374.51366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34O4/c1-5-6-7-8-12-19(2)13-9-16-21(23(26)27-4)17-10-14-20(3)15-11-18-22(24)25/h12,14,16H,7-11,13,15,17-18H2,1-4H3,(H,24,25)/b19-12+,20-14+,21-16+