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

Systemtic Name: [4-[bis(2-chloroethyl)amino]phenyl]methyl hexadecanoate Openeye Name: [4-[bis(2-chloroethyl)amino]phenyl]methyl hexadecanoate CAS Name: hexadecanoic acid [4-[bis(2-chloroethyl)amino]phenyl]methyl ester IUPAC Name: [4-[bis(2-chloroethyl)amino]phenyl]methyl hexadecanoate Traditional Name: palmitic acid [4-[bis(2-chloroethyl)amino]benzyl] ester Formula: C27H45Cl2NO2 MolecularWeight: 486.5577

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCC1=CC=C(C=C1)N(CCCl)CCCl

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC1=CC=C(C=C1)N(CCCl)CCCl

InChI

InChI=1S/C27H45Cl2NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-27(31)32-24-25-16-18-26(19-17-25)30(22-20-28)23-21-29/h16-19H,2-15,20-24H2,1H3