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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC(C#C/C=C/CCCC/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/h9-12,20,22H,3-8,13-14,16-17,19H2,1-2H3/b11-9+,12-10+