[2,2-bis(fluoranyl)-2-nitro-ethyl] 3-bromanyl-4-methoxy-benzenesulfonate

Systemtic Name: [2,2-bis(fluoranyl)-2-nitro-ethyl] 3-bromanyl-4-methoxy-benzenesulfonate Openeye Name: (2,2-difluoro-2-nitro-ethyl) 3-bromo-4-methoxy-benzenesulfonate CAS Name: 3-bromo-4-methoxybenzenesulfonic acid (2,2-difluoro-2-nitroethyl) ester IUPAC Name: (2,2-difluoro-2-nitroethyl) 3-bromo-4-methoxybenzenesulfonate Traditional Name: 3-bromo-4-methoxy-benzenesulfonic acid (2,2-difluoro-2-nitro-ethyl) ester Formula: C9H8BrF2NO6S MolecularWeight: 376.128726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)OCC([N+](=O)[O-])(F)F)Br

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)OCC([N+](=O)[O-])(F)F)Br

InChI

InChI=1S/C9H8BrF2NO6S/c1-18-8-3-2-6(4-7(8)10)20(16,17)19-5-9(11,12)13(14)15/h2-4H,5H2,1H3