sodium 3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate

Systemtic Name: sodium 3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate Openeye Name: sodium 3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate CAS Name: sodium 3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate IUPAC Name: sodium 3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate Traditional Name: sodium 3-[4-[bis(2-chloroethyl)amino]phenyl]propionate Formula: C13H16Cl2NNaO2 MolecularWeight: 312.16741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)[O-])N(CCCl)CCCl.[Na+]

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)[O-])N(CCCl)CCCl.[Na+]

InChI

InChI=1S/C13H17Cl2NO2.Na/c14-7-9-16(10-8-15)12-4-1-11(2-5-12)3-6-13(17)18;/h1-2,4-5H,3,6-10H2,(H,17,18);/q;+1/p-1