(4-azanyl-3-nitro-phenyl) 3-chloranyl-4-fluoranyl-benzenesulfonate

Systemtic Name: (4-azanyl-3-nitro-phenyl) 3-chloranyl-4-fluoranyl-benzenesulfonate Openeye Name: (4-amino-3-nitro-phenyl) 3-chloro-4-fluoro-benzenesulfonate CAS Name: 3-chloro-4-fluorobenzenesulfonic acid (4-amino-3-nitrophenyl) ester IUPAC Name: (4-amino-3-nitrophenyl) 3-chloro-4-fluorobenzenesulfonate Traditional Name: 3-chloro-4-fluoro-benzenesulfonic acid (4-amino-3-nitro-phenyl) ester Formula: C12H8ClFN2O5S MolecularWeight: 346.718723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OS(=O)(=O)C2=CC(=C(C=C2)F)Cl)[N+](=O)[O-])N

Isomeric SMILES

C1=CC(=C(C=C1OS(=O)(=O)C2=CC(=C(C=C2)F)Cl)[N+](=O)[O-])N

InChI

InChI=1S/C12H8ClFN2O5S/c13-9-6-8(2-3-10(9)14)22(19,20)21-7-1-4-11(15)12(5-7)16(17)18/h1-6H,15H2