hexadecyl 2-[4-[bis(2-chloroethyl)amino]phenyl]ethanoate

Systemtic Name: hexadecyl 2-[4-[bis(2-chloroethyl)amino]phenyl]ethanoate Openeye Name: hexadecyl 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate CAS Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]acetic acid hexadecyl ester IUPAC Name: hexadecyl 2-[4-[bis(2-chloroethyl)amino]phenyl]acetate Traditional Name: 2-[4-[bis(2-chloroethyl)amino]phenyl]acetic acid cetyl ester Formula: C28H47Cl2NO2 MolecularWeight: 500.58428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CC1=CC=C(C=C1)N(CCCl)CCCl

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CC1=CC=C(C=C1)N(CCCl)CCCl

InChI

InChI=1S/C28H47Cl2NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24-33-28(32)25-26-16-18-27(19-17-26)31(22-20-29)23-21-30/h16-19H,2-15,20-25H2,1H3