(4-nitrophenyl) 3-bromanylbenzenesulfonate

Systemtic Name: (4-nitrophenyl) 3-bromanylbenzenesulfonate Openeye Name: (4-nitrophenyl) 3-bromobenzenesulfonate CAS Name: 3-bromobenzenesulfonic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3-bromobenzenesulfonate Traditional Name: 3-bromobenzenesulfonic acid (4-nitrophenyl) ester Formula: C12H8BrNO5S MolecularWeight: 358.16462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)S(=O)(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H8BrNO5S/c13-9-2-1-3-12(8-9)20(17,18)19-11-6-4-10(5-7-11)14(15)16/h1-8H