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

Systemtic Name: [(2R)-1,1-bis(fluoranyl)-1-nitro-propan-2-yl] 4-chloranylbenzenesulfonate Openeye Name: [(1R)-2,2-difluoro-1-methyl-2-nitro-ethyl] 4-chlorobenzenesulfonate CAS Name: 4-chlorobenzenesulfonic acid [(2R)-1,1-difluoro-1-nitropropan-2-yl] ester IUPAC Name: [(2R)-1,1-difluoro-1-nitropropan-2-yl] 4-chlorobenzenesulfonate Traditional Name: 4-chlorobenzenesulfonic acid [(1R)-2,2-difluoro-1-methyl-2-nitro-ethyl] ester Formula: C9H8ClF2NO5S MolecularWeight: 315.678326

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C9H8ClF2NO5S/c1-6(9(11,12)13(14)15)18-19(16,17)8-4-2-7(10)3-5-8/h2-6H,1H3/t6-/m1/s1