[1,1-bis(fluoranyl)-1-nitro-propan-2-yl] 4-bromanylbenzenesulfonate

Systemtic Name: [1,1-bis(fluoranyl)-1-nitro-propan-2-yl] 4-bromanylbenzenesulfonate Openeye Name: (2,2-difluoro-1-methyl-2-nitro-ethyl) 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid (1,1-difluoro-1-nitropropan-2-yl) ester IUPAC Name: (1,1-difluoro-1-nitropropan-2-yl) 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid (2,2-difluoro-1-methyl-2-nitro-ethyl) ester Formula: C9H8BrF2NO5S MolecularWeight: 360.129326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8BrF2NO5S/c1-6(9(11,12)13(14)15)18-19(16,17)8-4-2-7(10)3-5-8/h2-6H,1H3