[3-[bis(2-chloroethyl)amino-phenoxy-phosphoryl]oxy-2-octadecanoyloxy-propyl] octadecanoate

Systemtic Name: [3-[bis(2-chloroethyl)amino-phenoxy-phosphoryl]oxy-2-octadecanoyloxy-propyl] octadecanoate Openeye Name: [3-[bis(2-chloroethyl)amino-phenoxy-phosphoryl]oxy-2-octadecanoyloxy-propyl] octadecanoate CAS Name: octadecanoic acid [3-[bis(2-chloroethyl)amino-phenoxyphosphoryl]oxy-2-(1-oxooctadecoxy)propyl] ester IUPAC Name: [3-[bis(2-chloroethyl)amino-phenoxyphosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate Traditional Name: stearic acid [3-[bis(2-chloroethyl)amino-phenoxy-phosphoryl]oxy-2-stearoyloxy-propyl] ester Formula: C49H88Cl2NO7P MolecularWeight: 905.105281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(N(CCCl)CCCl)OC1=CC=CC=C1)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(N(CCCl)CCCl)OC1=CC=CC=C1)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C49H88Cl2NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34-38-48(53)56-44-47(45-57-60(55,52(42-40-50)43-41-51)59-46-36-32-31-33-37-46)58-49(54)39-35-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-33,36-37,47H,3-30,34-35,38-45H2,1-2H3