(5E,9Z,13E)-9-fluoranyl-5,13-dimethyl-18-phenyl-octadeca-5,9,13-trien-17-ynoic acid

Systemtic Name: (5E,9Z,13E)-9-fluoranyl-5,13-dimethyl-18-phenyl-octadeca-5,9,13-trien-17-ynoic acid Openeye Name: (5E,9Z,13E)-9-fluoro-5,13-dimethyl-18-phenyl-octadeca-5,9,13-trien-17-ynoic acid CAS Name: (5E,9Z,13E)-9-fluoro-5,13-dimethyl-18-phenyloctadeca-5,9,13-trien-17-ynoic acid IUPAC Name: (5E,9Z,13E)-9-fluoro-5,13-dimethyl-18-phenyloctadeca-5,9,13-trien-17-ynoic acid Traditional Name: (5E,9Z,13E)-9-fluoro-5,13-dimethyl-18-phenyl-octadeca-5,9,13-trien-17-ynoic acid Formula: C26H33FO2 MolecularWeight: 396.537423

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCC(=CCCC#CC1=CC=CC=C1)C)F)CCCC(=O)O

Isomeric SMILES

C/C(=C\CC/C(=C/CC/C(=C/CCC#CC1=CC=CC=C1)/C)/F)/CCCC(=O)O

InChI

InChI=1S/C26H33FO2/c1-22(12-5-3-6-16-24-17-7-4-8-18-24)13-9-19-25(27)20-10-14-23(2)15-11-21-26(28)29/h4,7-8,12,14,17-19H,3,5,9-11,13,15,20-21H2,1-2H3,(H,28,29)/b22-12+,23-14+,25-19-