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

Systemtic Name: [4-[bis(2-chloroethyl)amino]phenyl] octanoate Openeye Name: [4-[bis(2-chloroethyl)amino]phenyl] octanoate CAS Name: octanoic acid [4-[bis(2-chloroethyl)amino]phenyl] ester IUPAC Name: [4-[bis(2-chloroethyl)amino]phenyl] octanoate Traditional Name: caprylic acid [4-[bis(2-chloroethyl)amino]phenyl] ester Formula: C18H27Cl2NO2 MolecularWeight: 360.31848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27Cl2NO2/c1-2-3-4-5-6-7-18(22)23-17-10-8-16(9-11-17)21(14-12-19)15-13-20/h8-11H,2-7,12-15H2,1H3