(2-chloranyl-4-cyano-phenyl) 4-nitrobenzenesulfonate

Systemtic Name: (2-chloranyl-4-cyano-phenyl) 4-nitrobenzenesulfonate Openeye Name: (2-chloro-4-cyano-phenyl) 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (2-chloro-4-cyanophenyl) ester IUPAC Name: (2-chloro-4-cyanophenyl) 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (2-chloro-4-cyano-phenyl) ester Formula: C13H7ClN2O5S MolecularWeight: 338.72308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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