methyl (E)-16-oxidanylicos-14-en-5-ynoate

Systemtic Name: methyl (E)-16-oxidanylicos-14-en-5-ynoate Openeye Name: methyl (E)-16-hydroxyicos-14-en-5-ynoate CAS Name: (E)-16-hydroxyeicos-14-en-5-ynoic acid methyl ester IUPAC Name: methyl (E)-16-hydroxyicos-14-en-5-ynoate Traditional Name: (E)-16-hydroxyeicos-14-en-5-ynoic acid methyl ester Formula: C21H36O3 MolecularWeight: 336.50874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C=CCCCCCCCC#CCCCC(=O)OC)O

Isomeric SMILES

CCCCC(/C=C/CCCCCCCC#CCCCC(=O)OC)O

InChI

InChI=1S/C21H36O3/c1-3-4-17-20(22)18-15-13-11-9-7-5-6-8-10-12-14-16-19-21(23)24-2/h15,18,20,22H,3-9,11,13-14,16-17,19H2,1-2H3/b18-15+