[2-octa-3,5-diynoyloxy-3-[oxidanyl(propoxy)phosphoryl]oxy-propyl] octa-3,5-diynoate

Systemtic Name: [2-octa-3,5-diynoyloxy-3-[oxidanyl(propoxy)phosphoryl]oxy-propyl] octa-3,5-diynoate Openeye Name: [3-[hydroxy(propoxy)phosphoryl]oxy-2-octa-3,5-diynoyloxy-propyl] octa-3,5-diynoate CAS Name: octa-3,5-diynoic acid [3-[hydroxy(propoxy)phosphoryl]oxy-2-(1-oxoocta-3,5-diynoxy)propyl] ester IUPAC Name: [3-[hydroxy(propoxy)phosphoryl]oxy-2-octa-3,5-diynoyloxypropyl] octa-3,5-diynoate Traditional Name: octa-3,5-diynoic acid [3-[hydroxy(propoxy)phosphoryl]oxy-2-octa-3,5-diynoyloxy-propyl] ester Formula: C22H27O8P MolecularWeight: 450.418741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOP(=O)(O)OCC(COC(=O)CC#CC#CCC)OC(=O)CC#CC#CCC

Isomeric SMILES

CCCOP(=O)(O)OCC(COC(=O)CC#CC#CCC)OC(=O)CC#CC#CCC

InChI

InChI=1S/C22H27O8P/c1-4-7-9-11-13-15-21(23)27-18-20(19-29-31(25,26)28-17-6-3)30-22(24)16-14-12-10-8-5-2/h20H,4-6,15-19H2,1-3H3,(H,25,26)