methyl 16-oxidanylicosa-5,14-diynoate

Systemtic Name: methyl 16-oxidanylicosa-5,14-diynoate Openeye Name: methyl 16-hydroxyicosa-5,14-diynoate CAS Name: 16-hydroxyeicosa-5,14-diynoic acid methyl ester IUPAC Name: methyl 16-hydroxyicosa-5,14-diynoate Traditional Name: 16-hydroxyeicosa-5,14-diynoic acid methyl ester Formula: C21H34O3 MolecularWeight: 334.49286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34O3/c1-3-4-17-20(22)18-15-13-11-9-7-5-6-8-10-12-14-16-19-21(23)24-2/h20,22H,3-9,11,13-14,16-17,19H2,1-2H3