[3-[bis(2-chloroethyl)amino-phenoxy-phosphoryl]oxy-2-tetradecanoyloxy-propyl] tetradecanoate

Systemtic Name: [3-[bis(2-chloroethyl)amino-phenoxy-phosphoryl]oxy-2-tetradecanoyloxy-propyl] tetradecanoate Openeye Name: [3-[bis(2-chloroethyl)amino-phenoxy-phosphoryl]oxy-2-tetradecanoyloxy-propyl] tetradecanoate CAS Name: tetradecanoic acid [3-[bis(2-chloroethyl)amino-phenoxyphosphoryl]oxy-2-(1-oxotetradecoxy)propyl] ester IUPAC Name: [3-[bis(2-chloroethyl)amino-phenoxyphosphoryl]oxy-2-tetradecanoyloxypropyl] tetradecanoate Traditional Name: myristic acid [3-[bis(2-chloroethyl)amino-phenoxy-phosphoryl]oxy-2-tetradecanoyloxy-propyl] ester Formula: C41H72Cl2NO7P MolecularWeight: 792.892641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)OCC(COP(=O)(N(CCCl)CCCl)OC1=CC=CC=C1)OC(=O)CCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCC(=O)OCC(COP(=O)(N(CCCl)CCCl)OC1=CC=CC=C1)OC(=O)CCCCCCCCCCCCC

InChI

InChI=1S/C41H72Cl2NO7P/c1-3-5-7-9-11-13-15-17-19-21-26-30-40(45)48-36-39(50-41(46)31-27-22-20-18-16-14-12-10-8-6-4-2)37-49-52(47,44(34-32-42)35-33-43)51-38-28-24-23-25-29-38/h23-25,28-29,39H,3-22,26-27,30-37H2,1-2H3