[3-[oxidanyl(4-oxidanylbutoxy)phosphoryl]oxy-2-tricosa-10,12-diynoyloxy-propyl] tricosa-10,12-diynoate

Systemtic Name: [3-[oxidanyl(4-oxidanylbutoxy)phosphoryl]oxy-2-tricosa-10,12-diynoyloxy-propyl] tricosa-10,12-diynoate Openeye Name: [3-[hydroxy(4-hydroxybutoxy)phosphoryl]oxy-2-tricosa-10,12-diynoyloxy-propyl] tricosa-10,12-diynoate CAS Name: tricosa-10,12-diynoic acid [3-[hydroxy(4-hydroxybutoxy)phosphoryl]oxy-2-(1-oxotricosa-10,12-diynoxy)propyl] ester IUPAC Name: [3-[hydroxy(4-hydroxybutoxy)phosphoryl]oxy-2-tricosa-10,12-diynoyloxypropyl] tricosa-10,12-diynoate Traditional Name: tricosa-10,12-diynoic acid [3-[hydroxy(4-hydroxybutoxy)phosphoryl]oxy-2-tricosa-10,12-diynoyloxy-propyl] ester Formula: C53H89O9P MolecularWeight: 901.242121

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C53H89O9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-45-52(55)59-49-51(50-61-63(57,58)60-48-44-43-47-54)62-53(56)46-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h51,54H,3-20,29-50H2,1-2H3,(H,57,58)