[4-[bis(2-chloroethyl)amino]phenyl] hexadecanoate

Systemtic Name: [4-[bis(2-chloroethyl)amino]phenyl] hexadecanoate Openeye Name: [4-[bis(2-chloroethyl)amino]phenyl] hexadecanoate CAS Name: hexadecanoic acid [4-[bis(2-chloroethyl)amino]phenyl] ester IUPAC Name: [4-[bis(2-chloroethyl)amino]phenyl] hexadecanoate Traditional Name: palmitic acid [4-[bis(2-chloroethyl)amino]phenyl] ester Formula: C26H43Cl2NO2 MolecularWeight: 472.53112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)N(CCCl)CCCl

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)N(CCCl)CCCl

InChI

InChI=1S/C26H43Cl2NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-26(30)31-25-18-16-24(17-19-25)29(22-20-27)23-21-28/h16-19H,2-15,20-23H2,1H3