ethyl (4E,8Z,12E)-8-fluoranyl-4,12-dimethyl-17-phenyl-heptadeca-4,8,12-trien-16-ynoate

Systemtic Name: ethyl (4E,8Z,12E)-8-fluoranyl-4,12-dimethyl-17-phenyl-heptadeca-4,8,12-trien-16-ynoate Openeye Name: ethyl (4E,8Z,12E)-8-fluoro-4,12-dimethyl-17-phenyl-heptadeca-4,8,12-trien-16-ynoate CAS Name: (4E,8Z,12E)-8-fluoro-4,12-dimethyl-17-phenylheptadeca-4,8,12-trien-16-ynoic acid ethyl ester IUPAC Name: ethyl (4E,8Z,12E)-8-fluoro-4,12-dimethyl-17-phenylheptadeca-4,8,12-trien-16-ynoate Traditional Name: (4E,8Z,12E)-8-fluoro-4,12-dimethyl-17-phenyl-heptadeca-4,8,12-trien-16-ynoic acid ethyl ester Formula: C27H35FO2 MolecularWeight: 410.564003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35FO2/c1-4-30-27(29)22-21-24(3)15-12-20-26(28)19-11-14-23(2)13-7-5-8-16-25-17-9-6-10-18-25/h6,9-10,13,15,17-19H,4-5,7,11-12,14,20-22H2,1-3H3/b23-13+,24-15+,26-19-