[2-[bis(2-chloroethyl)carbamoyloxy]-3-octadec-9-enoyloxy-propyl] octadec-9-enoate

Systemtic Name: [2-[bis(2-chloroethyl)carbamoyloxy]-3-octadec-9-enoyloxy-propyl] octadec-9-enoate Openeye Name: [2-[bis(2-chloroethyl)carbamoyloxy]-3-octadec-9-enoyloxy-propyl] octadec-9-enoate CAS Name: 9-octadecenoic acid [2-[bis(2-chloroethyl)amino-oxomethoxy]-3-(1-oxooctadec-9-enoxy)propyl] ester IUPAC Name: [2-[bis(2-chloroethyl)carbamoyloxy]-3-octadec-9-enoyloxypropyl] octadec-9-enoate Traditional Name: octadec-9-enoic acid [2-[bis(2-chloroethyl)carbamoyloxy]-3-octadec-9-enoyloxy-propyl] ester Formula: C44H79Cl2NO6 MolecularWeight: 789.00716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)N(CCCl)CCCl

Isomeric SMILES

CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)N(CCCl)CCCl

InChI

InChI=1S/C44H79Cl2NO6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(48)51-39-41(53-44(50)47(37-35-45)38-36-46)40-52-43(49)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,41H,3-16,21-40H2,1-2H3