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

Systemtic Name: sodium 2-[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]diazenyl]benzoate Openeye Name: sodium 2-[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]azobenzoate CAS Name: sodium 2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]azobenzoate IUPAC Name: sodium 2-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]benzoate Traditional Name: sodium 2-[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]azobenzoate Formula: C18H18Cl2N3NaO2 MolecularWeight: 402.25019

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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/p-1