(E)-15-acetyloxyicos-13-en-11-ynoic acid

Systemtic Name: (E)-15-acetyloxyicos-13-en-11-ynoic acid Openeye Name: (E)-15-acetoxyicos-13-en-11-ynoic acid CAS Name: (E)-15-acetyloxyeicos-13-en-11-ynoic acid IUPAC Name: (E)-15-acetyloxyicos-13-en-11-ynoic acid Traditional Name: (E)-15-acetoxyeicos-13-en-11-ynoic acid Formula: C22H36O4 MolecularWeight: 364.51884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCC(/C=C/C#CCCCCCCCCCC(=O)O)OC(=O)C

InChI

InChI=1S/C22H36O4/c1-3-4-14-17-21(26-20(2)23)18-15-12-10-8-6-5-7-9-11-13-16-19-22(24)25/h15,18,21H,3-9,11,13-14,16-17,19H2,1-2H3,(H,24,25)/b18-15+