[(1R)-2,2-bis(fluoranyl)-2-nitro-1-phenyl-ethyl] 4-bromanylbenzenesulfonate

Systemtic Name: [(1R)-2,2-bis(fluoranyl)-2-nitro-1-phenyl-ethyl] 4-bromanylbenzenesulfonate Openeye Name: [(1R)-2,2-difluoro-2-nitro-1-phenyl-ethyl] 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid [(1R)-2,2-difluoro-2-nitro-1-phenylethyl] ester IUPAC Name: [(1R)-2,2-difluoro-2-nitro-1-phenylethyl] 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid [(1R)-2,2-difluoro-2-nitro-1-phenyl-ethyl] ester Formula: C14H10BrF2NO5S MolecularWeight: 422.198706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C([N+](=O)[O-])(F)F)OS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C([N+](=O)[O-])(F)F)OS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C14H10BrF2NO5S/c15-11-6-8-12(9-7-11)24(21,22)23-13(14(16,17)18(19)20)10-4-2-1-3-5-10/h1-9,13H/t13-/m1/s1