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

Systemtic Name: copper 2-[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]diazenyl]benzoate Openeye Name: copper 2-[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]azobenzoate CAS Name: copper 2-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]azobenzoate IUPAC Name: copper 2-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]diazenyl]benzoate Traditional Name: cupric 2-[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]azobenzoate Formula: C36H36Cl4CuN6O4 MolecularWeight: 822.06684

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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-].CC1=C(C=CC(=C1)N(CCCl)CCCl)N=NC2=CC=CC=C2C(=O)[O-].[Cu+2]

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCCl)CCCl)N=NC2=CC=CC=C2C(=O)[O-].CC1=C(C=CC(=C1)N(CCCl)CCCl)N=NC2=CC=CC=C2C(=O)[O-].[Cu+2]

InChI

InChI=1S/2C18H19Cl2N3O2.Cu/c2*1-13-12-14(23(10-8-19)11-9-20)6-7-16(13)21-22-17-5-3-2-4-15(17)18(24)25;/h2*2-7,12H,8-11H2,1H3,(H,24,25);/q;;+2/p-2