(3-chlorophenyl) 4-azanyl-3-nitro-benzenesulfonate

Systemtic Name: (3-chlorophenyl) 4-azanyl-3-nitro-benzenesulfonate Openeye Name: (3-chlorophenyl) 4-amino-3-nitro-benzenesulfonate CAS Name: 4-amino-3-nitrobenzenesulfonic acid (3-chlorophenyl) ester IUPAC Name: (3-chlorophenyl) 4-amino-3-nitrobenzenesulfonate Traditional Name: 4-amino-3-nitro-benzenesulfonic acid (3-chlorophenyl) ester Formula: C12H9ClN2O5S MolecularWeight: 328.72826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9ClN2O5S/c13-8-2-1-3-9(6-8)20-21(18,19)10-4-5-11(14)12(7-10)15(16)17/h1-7H,14H2