[4-[(3-chloranylsulfonylphenyl)diazenyl]-2-cyano-phenyl] benzoate

Systemtic Name: [4-[(3-chloranylsulfonylphenyl)diazenyl]-2-cyano-phenyl] benzoate Openeye Name: [4-(3-chlorosulfonylphenyl)azo-2-cyano-phenyl] benzoate CAS Name: benzoic acid [4-(3-chlorosulfonylphenyl)azo-2-cyanophenyl] ester IUPAC Name: [4-[(3-chlorosulfonylphenyl)diazenyl]-2-cyanophenyl] benzoate Traditional Name: benzoic acid [4-(3-chlorosulfonylphenyl)azo-2-cyano-phenyl] ester Formula: C20H12ClN3O4S MolecularWeight: 425.84498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)N=NC3=CC(=CC=C3)S(=O)(=O)Cl)C#N

InChI

InChI=1S/C20H12ClN3O4S/c21-29(26,27)18-8-4-7-16(12-18)23-24-17-9-10-19(15(11-17)13-22)28-20(25)14-5-2-1-3-6-14/h1-12H