(2-cyanophenyl) 2-chloranyl-5-nitro-benzenesulfonate

Systemtic Name: (2-cyanophenyl) 2-chloranyl-5-nitro-benzenesulfonate Openeye Name: (2-cyanophenyl) 2-chloro-5-nitro-benzenesulfonate CAS Name: 2-chloro-5-nitrobenzenesulfonic acid (2-cyanophenyl) ester IUPAC Name: (2-cyanophenyl) 2-chloro-5-nitrobenzenesulfonate Traditional Name: 2-chloro-5-nitro-benzenesulfonic acid (2-cyanophenyl) ester Formula: C13H7ClN2O5S MolecularWeight: 338.72308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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