sodium 5-[4-[bis(2-chloroethyl)amino]phenyl]pentanoate

Systemtic Name: sodium 5-[4-[bis(2-chloroethyl)amino]phenyl]pentanoate Openeye Name: sodium 5-[4-[bis(2-chloroethyl)amino]phenyl]pentanoate CAS Name: sodium 5-[4-[bis(2-chloroethyl)amino]phenyl]pentanoate IUPAC Name: sodium 5-[4-[bis(2-chloroethyl)amino]phenyl]pentanoate Traditional Name: sodium 5-[4-[bis(2-chloroethyl)amino]phenyl]valerate Formula: C15H20Cl2NNaO2 MolecularWeight: 340.22057

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCCC(=O)[O-])N(CCCl)CCCl.[Na+]

Isomeric SMILES

C1=CC(=CC=C1CCCCC(=O)[O-])N(CCCl)CCCl.[Na+]

InChI

InChI=1S/C15H21Cl2NO2.Na/c16-9-11-18(12-10-17)14-7-5-13(6-8-14)3-1-2-4-15(19)20;/h5-8H,1-4,9-12H2,(H,19,20);/q;+1/p-1