ethyl (4Z,8E)-4-fluoranyl-8-methyl-13-phenyl-trideca-4,8-dien-12-ynoate

Systemtic Name: ethyl (4Z,8E)-4-fluoranyl-8-methyl-13-phenyl-trideca-4,8-dien-12-ynoate Openeye Name: ethyl (4Z,8E)-4-fluoro-8-methyl-13-phenyl-trideca-4,8-dien-12-ynoate CAS Name: (4Z,8E)-4-fluoro-8-methyl-13-phenyltrideca-4,8-dien-12-ynoic acid ethyl ester IUPAC Name: ethyl (4Z,8E)-4-fluoro-8-methyl-13-phenyltrideca-4,8-dien-12-ynoate Traditional Name: (4Z,8E)-4-fluoro-8-methyl-13-phenyl-trideca-4,8-dien-12-ynoic acid ethyl ester Formula: C22H27FO2 MolecularWeight: 342.446983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27FO2/c1-3-25-22(24)18-17-21(23)16-10-12-19(2)11-6-4-7-13-20-14-8-5-9-15-20/h5,8-9,11,14-16H,3-4,6,10,12,17-18H2,1-2H3/b19-11+,21-16-