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

Systemtic Name: [4-[bis(2-chloroethyl)amino]phenyl] octadecanoate Openeye Name: [4-[bis(2-chloroethyl)amino]phenyl] octadecanoate CAS Name: octadecanoic acid [4-[bis(2-chloroethyl)amino]phenyl] ester IUPAC Name: [4-[bis(2-chloroethyl)amino]phenyl] octadecanoate Traditional Name: stearic acid [4-[bis(2-chloroethyl)amino]phenyl] ester Formula: C28H47Cl2NO2 MolecularWeight: 500.58428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H47Cl2NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(32)33-27-20-18-26(19-21-27)31(24-22-29)25-23-30/h18-21H,2-17,22-25H2,1H3