[3-[oxidanyl(3-oxidanylpropoxy)phosphoryl]oxy-2-tricosa-10,12-diynoyloxy-propyl] tricosa-10,12-diynoate

Systemtic Name: [3-[oxidanyl(3-oxidanylpropoxy)phosphoryl]oxy-2-tricosa-10,12-diynoyloxy-propyl] tricosa-10,12-diynoate Openeye Name: [3-[hydroxy(3-hydroxypropoxy)phosphoryl]oxy-2-tricosa-10,12-diynoyloxy-propyl] tricosa-10,12-diynoate CAS Name: tricosa-10,12-diynoic acid [3-[hydroxy(3-hydroxypropoxy)phosphoryl]oxy-2-(1-oxotricosa-10,12-diynoxy)propyl] ester IUPAC Name: [3-[hydroxy(3-hydroxypropoxy)phosphoryl]oxy-2-tricosa-10,12-diynoyloxypropyl] tricosa-10,12-diynoate Traditional Name: tricosa-10,12-diynoic acid [3-[hydroxy(3-hydroxypropoxy)phosphoryl]oxy-2-tricosa-10,12-diynoyloxy-propyl] ester Formula: C52H87O9P MolecularWeight: 887.215541

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CC#CCCCCCCCCC(=O)OCC(COP(=O)(O)OCCCO)OC(=O)CCCCCCCCC#CC#CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCC#CC#CCCCCCCCCC(=O)OCC(COP(=O)(O)OCCCO)OC(=O)CCCCCCCCC#CC#CCCCCCCCCCC

InChI

InChI=1S/C52H87O9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-44-51(54)58-48-50(49-60-62(56,57)59-47-43-46-53)61-52(55)45-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h50,53H,3-20,29-49H2,1-2H3,(H,56,57)