(E)-14-(1,3-dioxolan-2-yl)-13-(phenylcarbonyloxy)tetradec-11-en-9-ynoic acid

Systemtic Name: (E)-14-(1,3-dioxolan-2-yl)-13-(phenylcarbonyloxy)tetradec-11-en-9-ynoic acid Openeye Name: (E)-13-benzoyloxy-14-(1,3-dioxolan-2-yl)tetradec-11-en-9-ynoic acid CAS Name: (E)-13-benzoyloxy-14-(1,3-dioxolan-2-yl)tetradec-11-en-9-ynoic acid IUPAC Name: (E)-13-benzoyloxy-14-(1,3-dioxolan-2-yl)tetradec-11-en-9-ynoic acid Traditional Name: (E)-13-benzoyloxy-14-(1,3-dioxolan-2-yl)tetradec-11-en-9-ynoic acid Formula: C24H30O6 MolecularWeight: 414.4914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC(O1)CC(C=CC#CCCCCCCCC(=O)O)OC(=O)C2=CC=CC=C2

Isomeric SMILES

C1COC(O1)CC(/C=C/C#CCCCCCCCC(=O)O)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C24H30O6/c25-22(26)16-12-7-5-3-1-2-4-6-11-15-21(19-23-28-17-18-29-23)30-24(27)20-13-9-8-10-14-20/h8-11,13-15,21,23H,1-3,5,7,12,16-19H2,(H,25,26)/b15-11+