methyl (E)-9-fluoranyl-13-oxidanyl-octadec-9-en-11-ynoate

Systemtic Name: methyl (E)-9-fluoranyl-13-oxidanyl-octadec-9-en-11-ynoate Openeye Name: methyl (E)-9-fluoro-13-hydroxy-octadec-9-en-11-ynoate CAS Name: (E)-9-fluoro-13-hydroxyoctadec-9-en-11-ynoic acid methyl ester IUPAC Name: methyl (E)-9-fluoro-13-hydroxyoctadec-9-en-11-ynoate Traditional Name: (E)-9-fluoro-13-hydroxy-octadec-9-en-11-ynoic acid methyl ester Formula: C19H31FO3 MolecularWeight: 326.446043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C#CC=C(CCCCCCCC(=O)OC)F)O

Isomeric SMILES

CCCCCC(C#C/C=C(\CCCCCCCC(=O)OC)/F)O

InChI

InChI=1S/C19H31FO3/c1-3-4-8-14-18(21)15-11-13-17(20)12-9-6-5-7-10-16-19(22)23-2/h13,18,21H,3-10,12,14,16H2,1-2H3/b17-13+