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

Systemtic Name: [4-[bis(2-chloroethyl)amino]phenyl] dodecanoate Openeye Name: [4-[bis(2-chloroethyl)amino]phenyl] dodecanoate CAS Name: dodecanoic acid [4-[bis(2-chloroethyl)amino]phenyl] ester IUPAC Name: [4-[bis(2-chloroethyl)amino]phenyl] dodecanoate Traditional Name: lauric acid [4-[bis(2-chloroethyl)amino]phenyl] ester Formula: C22H35Cl2NO2 MolecularWeight: 416.4248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35Cl2NO2/c1-2-3-4-5-6-7-8-9-10-11-22(26)27-21-14-12-20(13-15-21)25(18-16-23)19-17-24/h12-15H,2-11,16-19H2,1H3