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

Systemtic Name: sodium 2-azanyl-4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate Openeye Name: sodium 2-amino-4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate CAS Name: sodium 2-amino-4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate IUPAC Name: sodium 2-amino-4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate Traditional Name: sodium 2-amino-4-[4-[bis(2-chloroethyl)amino]phenyl]butyrate Formula: C14H19Cl2N2NaO2 MolecularWeight: 341.20863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20Cl2N2O2.Na/c15-7-9-18(10-8-16)12-4-1-11(2-5-12)3-6-13(17)14(19)20;/h1-2,4-5,13H,3,6-10,17H2,(H,19,20);/q;+1/p-1