methyl (5E,13E)-15-oxidanylicosa-5,13-dien-11-ynoate

Systemtic Name: methyl (5E,13E)-15-oxidanylicosa-5,13-dien-11-ynoate Openeye Name: methyl (5E,13E)-15-hydroxyicosa-5,13-dien-11-ynoate CAS Name: (5E,13E)-15-hydroxyeicosa-5,13-dien-11-ynoic acid methyl ester IUPAC Name: methyl (5E,13E)-15-hydroxyicosa-5,13-dien-11-ynoate Traditional Name: (5E,13E)-15-hydroxyeicosa-5,13-dien-11-ynoic acid methyl ester Formula: C21H34O3 MolecularWeight: 334.49286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC#CCCCCC=CCCCC(=O)OC)O

Isomeric SMILES

CCCCCC(/C=C/C#CCCCC/C=C/CCCC(=O)OC)O

InChI

InChI=1S/C21H34O3/c1-3-4-14-17-20(22)18-15-12-10-8-6-5-7-9-11-13-16-19-21(23)24-2/h9,11,15,18,20,22H,3-8,13-14,16-17,19H2,1-2H3/b11-9+,18-15+