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

Systemtic Name: [1,1-bis(fluoranyl)-1-nitro-propan-2-yl] benzenesulfonate Openeye Name: (2,2-difluoro-1-methyl-2-nitro-ethyl) benzenesulfonate CAS Name: benzenesulfonic acid (1,1-difluoro-1-nitropropan-2-yl) ester IUPAC Name: (1,1-difluoro-1-nitropropan-2-yl) benzenesulfonate Traditional Name: benzenesulfonic acid (2,2-difluoro-1-methyl-2-nitro-ethyl) ester Formula: C9H9F2NO5S MolecularWeight: 281.233266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9F2NO5S/c1-7(9(10,11)12(13)14)17-18(15,16)8-5-3-2-4-6-8/h2-7H,1H3