[3-[bis(2-chloroethyl)amino-phenoxy-phosphoryl]oxy-2-nonanoyloxy-propyl] nonanoate

Systemtic Name: [3-[bis(2-chloroethyl)amino-phenoxy-phosphoryl]oxy-2-nonanoyloxy-propyl] nonanoate Openeye Name: [3-[bis(2-chloroethyl)amino-phenoxy-phosphoryl]oxy-2-nonanoyloxy-propyl] nonanoate CAS Name: nonanoic acid [3-[bis(2-chloroethyl)amino-phenoxyphosphoryl]oxy-2-(1-oxononoxy)propyl] ester IUPAC Name: [3-[bis(2-chloroethyl)amino-phenoxyphosphoryl]oxy-2-nonanoyloxypropyl] nonanoate Traditional Name: pelargonic acid [3-[bis(2-chloroethyl)amino-phenoxy-phosphoryl]oxy-2-pelargonyloxy-propyl] ester Formula: C31H52Cl2NO7P MolecularWeight: 652.626841

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OCC(COP(=O)(N(CCCl)CCCl)OC1=CC=CC=C1)OC(=O)CCCCCCCC

Isomeric SMILES

CCCCCCCCC(=O)OCC(COP(=O)(N(CCCl)CCCl)OC1=CC=CC=C1)OC(=O)CCCCCCCC

InChI

InChI=1S/C31H52Cl2NO7P/c1-3-5-7-9-11-16-20-30(35)38-26-29(40-31(36)21-17-12-10-8-6-4-2)27-39-42(37,34(24-22-32)25-23-33)41-28-18-14-13-15-19-28/h13-15,18-19,29H,3-12,16-17,20-27H2,1-2H3