benzene; 4-[bis(2-chloroethyl)amino]butanoic acid

Systemtic Name: benzene; 4-[bis(2-chloroethyl)amino]butanoic acid Openeye Name: benzene; 4-[bis(2-chloroethyl)amino]butanoic acid CAS Name: benzene; 4-[bis(2-chloroethyl)amino]butanoic acid IUPAC Name: benzene; 4-[bis(2-chloroethyl)amino]butanoic acid Traditional Name: benzene; 4-[bis(2-chloroethyl)amino]butyric acid Formula: C14H21Cl2NO2 MolecularWeight: 306.22804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=CC=C1.C(CC(=O)O)CN(CCCl)CCCl

Isomeric SMILES

C1=CC=CC=C1.C(CC(=O)O)CN(CCCl)CCCl

InChI

InChI=1S/C8H15Cl2NO2.C6H6/c9-3-6-11(7-4-10)5-1-2-8(12)13;1-2-4-6-5-3-1/h1-7H2,(H,12,13);1-6H