ethyl (E,13S)-13-oxidanyloctadec-11-en-9-ynoate

Systemtic Name: ethyl (E,13S)-13-oxidanyloctadec-11-en-9-ynoate Openeye Name: ethyl (E,13S)-13-hydroxyoctadec-11-en-9-ynoate CAS Name: (E,13S)-13-hydroxyoctadec-11-en-9-ynoic acid ethyl ester IUPAC Name: ethyl (E,13S)-13-hydroxyoctadec-11-en-9-ynoate Traditional Name: (E,13S)-13-hydroxyoctadec-11-en-9-ynoic acid ethyl ester Formula: C20H34O3 MolecularWeight: 322.48216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC#CCCCCCCCC(=O)OCC)O

Isomeric SMILES

CCCCC[C@@H](/C=C/C#CCCCCCCCC(=O)OCC)O

InChI

InChI=1S/C20H34O3/c1-3-5-13-16-19(21)17-14-11-9-7-6-8-10-12-15-18-20(22)23-4-2/h14,17,19,21H,3-8,10,12-13,15-16,18H2,1-2H3/b17-14+/t19-/m0/s1