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

Systemtic Name: sodium 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate Openeye Name: sodium 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate CAS Name: sodium 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate IUPAC Name: sodium 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate Traditional Name: sodium 4-[4-[bis(2-chloroethyl)amino]phenyl]butyrate Formula: C14H18Cl2NNaO2 MolecularWeight: 326.19399

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCC(=O)[O-])N(CCCl)CCCl.[Na+]

Isomeric SMILES

C1=CC(=CC=C1CCCC(=O)[O-])N(CCCl)CCCl.[Na+]

InChI

InChI=1S/C14H19Cl2NO2.Na/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19;/h4-7H,1-3,8-11H2,(H,18,19);/q;+1/p-1