(4-nitrophenyl) 3-chloranyl-4-fluoranyl-benzenesulfonate

Systemtic Name: (4-nitrophenyl) 3-chloranyl-4-fluoranyl-benzenesulfonate Openeye Name: (4-nitrophenyl) 3-chloro-4-fluoro-benzenesulfonate CAS Name: 3-chloro-4-fluorobenzenesulfonic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3-chloro-4-fluorobenzenesulfonate Traditional Name: 3-chloro-4-fluoro-benzenesulfonic acid (4-nitrophenyl) ester Formula: C12H7ClFNO5S MolecularWeight: 331.704083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H7ClFNO5S/c13-11-7-10(5-6-12(11)14)21(18,19)20-9-3-1-8(2-4-9)15(16)17/h1-7H