[2,2-bis(fluoranyl)-2-nitro-ethyl] 4-methoxybenzenesulfonate

Systemtic Name: [2,2-bis(fluoranyl)-2-nitro-ethyl] 4-methoxybenzenesulfonate Openeye Name: (2,2-difluoro-2-nitro-ethyl) 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid (2,2-difluoro-2-nitroethyl) ester IUPAC Name: (2,2-difluoro-2-nitroethyl) 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid (2,2-difluoro-2-nitro-ethyl) ester Formula: C9H9F2NO6S MolecularWeight: 297.232666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9F2NO6S/c1-17-7-2-4-8(5-3-7)19(15,16)18-6-9(10,11)12(13)14/h2-5H,6H2,1H3