[3-[bis(2-chloroethyl)amino-phenoxy-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate

Systemtic Name: [3-[bis(2-chloroethyl)amino-phenoxy-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate Openeye Name: [3-[bis(2-chloroethyl)amino-phenoxy-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate CAS Name: hexadecanoic acid [3-[bis(2-chloroethyl)amino-phenoxyphosphoryl]oxy-2-(1-oxohexadecoxy)propyl] ester IUPAC Name: [3-[bis(2-chloroethyl)amino-phenoxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate Traditional Name: palmitic acid [3-[bis(2-chloroethyl)amino-phenoxy-phosphoryl]oxy-2-hexadecanoyloxy-propyl] ester Formula: C45H80Cl2NO7P MolecularWeight: 848.998961

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(N(CCCl)CCCl)OC1=CC=CC=C1)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(N(CCCl)CCCl)OC1=CC=CC=C1)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C45H80Cl2NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-44(49)52-40-43(54-45(50)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2)41-53-56(51,48(38-36-46)39-37-47)55-42-32-28-27-29-33-42/h27-29,32-33,43H,3-26,30-31,34-41H2,1-2H3