sodium 2-[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]diazenyl]benzoic acid

Systemtic Name: sodium 2-[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]diazenyl]benzoic acid Openeye Name: sodium 2-[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]azobenzoic acid CAS Name: sodium 2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]azobenzoic acid IUPAC Name: sodium 2-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]benzoic acid Traditional Name: sodium 2-[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]azobenzoic acid Formula: C18H19Cl2N3NaO2+ MolecularWeight: 403.25813

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCCl)CCCl)N=NC2=CC=CC=C2C(=O)O.[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCCl)CCCl)N=NC2=CC=CC=C2C(=O)O.[Na+]

InChI

InChI=1S/C18H19Cl2N3O2.Na/c1-13-12-14(23(10-8-19)11-9-20)6-7-16(13)21-22-17-5-3-2-4-15(17)18(24)25;/h2-7,12H,8-11H2,1H3,(H,24,25);/q;+1