(2-chloranyl-4-nitro-phenyl) 3-cyanobenzenesulfonate

Systemtic Name: (2-chloranyl-4-nitro-phenyl) 3-cyanobenzenesulfonate Openeye Name: (2-chloro-4-nitro-phenyl) 3-cyanobenzenesulfonate CAS Name: 3-cyanobenzenesulfonic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) 3-cyanobenzenesulfonate Traditional Name: 3-cyanobenzenesulfonic acid (2-chloro-4-nitro-phenyl) ester Formula: C13H7ClN2O5S MolecularWeight: 338.72308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C#N

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)C#N

InChI

InChI=1S/C13H7ClN2O5S/c14-12-7-10(16(17)18)4-5-13(12)21-22(19,20)11-3-1-2-9(6-11)8-15/h1-7H