(3-cyanophenyl) 4-chloranyl-3-nitro-benzenesulfonate

Systemtic Name: (3-cyanophenyl) 4-chloranyl-3-nitro-benzenesulfonate Openeye Name: (3-cyanophenyl) 4-chloro-3-nitro-benzenesulfonate CAS Name: 4-chloro-3-nitrobenzenesulfonic acid (3-cyanophenyl) ester IUPAC Name: (3-cyanophenyl) 4-chloro-3-nitrobenzenesulfonate Traditional Name: 4-chloro-3-nitro-benzenesulfonic acid (3-cyanophenyl) ester Formula: C13H7ClN2O5S MolecularWeight: 338.72308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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