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

Systemtic Name: Se-phenyl (5E,9Z,13E)-9-fluoranyl-5,13-dimethyl-18-phenyl-octadeca-5,9,13-trien-17-yneselenoate Openeye Name: Se-phenyl (5E,9Z,13E)-9-fluoro-5,13-dimethyl-18-phenyl-octadeca-5,9,13-trien-17-yneselenoate CAS Name: (5E,9Z,13E)-9-fluoro-5,13-dimethyl-18-phenyloctadeca-5,9,13-trien-17-yneselenoic acid Se-phenyl ester IUPAC Name: Se-phenyl (5E,9Z,13E)-9-fluoro-5,13-dimethyl-18-phenyloctadeca-5,9,13-trien-17-yneselenoate Traditional Name: (5E,9Z,13E)-9-fluoro-5,13-dimethyl-18-phenyl-octadeca-5,9,13-trien-17-yneselenoic acid Se-phenyl ester Formula: C32H37FOSe MolecularWeight: 535.593983

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCC(=CCCC#CC1=CC=CC=C1)C)F)CCCC(=O)[Se]C2=CC=CC=C2

Isomeric SMILES

C/C(=C\CC/C(=C/CC/C(=C/CCC#CC1=CC=CC=C1)/C)/F)/CCCC(=O)[Se]C2=CC=CC=C2

InChI

InChI=1S/C32H37FOSe/c1-27(15-6-3-7-19-29-20-8-4-9-21-29)16-12-22-30(33)23-13-17-28(2)18-14-26-32(34)35-31-24-10-5-11-25-31/h4-5,8-11,15,17,20-22,24-25H,3,6,12-14,16,18,23,26H2,1-2H3/b27-15+,28-17+,30-22-