methyl (E)-13-fluoranyloctadec-9-en-11-ynoate

Systemtic Name: methyl (E)-13-fluoranyloctadec-9-en-11-ynoate Openeye Name: methyl (E)-13-fluorooctadec-9-en-11-ynoate CAS Name: (E)-13-fluorooctadec-9-en-11-ynoic acid methyl ester IUPAC Name: methyl (E)-13-fluorooctadec-9-en-11-ynoate Traditional Name: (E)-13-fluorooctadec-9-en-11-ynoic acid methyl ester Formula: C19H31FO2 MolecularWeight: 310.446643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31FO2/c1-3-4-12-15-18(20)16-13-10-8-6-5-7-9-11-14-17-19(21)22-2/h8,10,18H,3-7,9,11-12,14-15,17H2,1-2H3/b10-8+