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4-[4-[bis(2-chloroethyl)amino]phenoxy]benzoic acid

4-[4-[bis(2-chloroethyl)amino]phenoxy]benzoic acid

Systemtic Name:4-[4-[bis(2-chloroethyl)amino]phenoxy]benzoic acid
Openeye Name:4-[4-[bis(2-chloroethyl)amino]phenoxy]benzoic acid
CAS Name:4-[4-[bis(2-chloroethyl)amino]phenoxy]benzoic acid
IUPAC Name:4-[4-[bis(2-chloroethyl)amino]phenoxy]benzoic acid
Traditional Name:4-[4-[bis(2-chloroethyl)amino]phenoxy]benzoic acid
Formula: C17H17Cl2NO3
MolecularWeight: 354.22778
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)OC2=CC=C(C=C2)N(CCCl)CCCl


Isomeric SMILES

C1=CC(=CC=C1C(=O)O)OC2=CC=C(C=C2)N(CCCl)CCCl


InChI

InChI=1S/C17H17Cl2NO3/c18-9-11-20(12-10-19)14-3-7-16(8-4-14)23-15-5-1-13(2-6-15)17(21)22/h1-8H,9-12H2,(H,21,22)


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