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

Systemtic Name: [4-[bis(2-chloroethyl)amino]phenyl] hexanoate Openeye Name: [4-[bis(2-chloroethyl)amino]phenyl] hexanoate CAS Name: hexanoic acid [4-[bis(2-chloroethyl)amino]phenyl] ester IUPAC Name: [4-[bis(2-chloroethyl)amino]phenyl] hexanoate Traditional Name: hexanoic acid [4-[bis(2-chloroethyl)amino]phenyl] ester Formula: C16H23Cl2NO2 MolecularWeight: 332.26532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23Cl2NO2/c1-2-3-4-5-16(20)21-15-8-6-14(7-9-15)19(12-10-17)13-11-18/h6-9H,2-5,10-13H2,1H3