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

Systemtic Name: sodium 2-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]benzoate Openeye Name: sodium 2-[4-[bis(2-chloroethyl)amino]phenyl]azobenzoate CAS Name: sodium 2-[4-[bis(2-chloroethyl)amino]phenyl]azobenzoate IUPAC Name: sodium 2-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]benzoate Traditional Name: sodium 2-[4-[bis(2-chloroethyl)amino]phenyl]azobenzoate Formula: C17H16Cl2N3NaO2 MolecularWeight: 388.22361

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])N=NC2=CC=C(C=C2)N(CCCl)CCCl.[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])N=NC2=CC=C(C=C2)N(CCCl)CCCl.[Na+]

InChI

InChI=1S/C17H17Cl2N3O2.Na/c18-9-11-22(12-10-19)14-7-5-13(6-8-14)20-21-16-4-2-1-3-15(16)17(23)24;/h1-8H,9-12H2,(H,23,24);/q;+1/p-1