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

Systemtic Name: [(1R)-2,2-bis(fluoranyl)-2-nitro-1-phenyl-ethyl] 4-methylbenzenesulfonate Openeye Name: [(1R)-2,2-difluoro-2-nitro-1-phenyl-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R)-2,2-difluoro-2-nitro-1-phenylethyl] ester IUPAC Name: [(1R)-2,2-difluoro-2-nitro-1-phenylethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R)-2,2-difluoro-2-nitro-1-phenyl-ethyl] ester Formula: C15H13F2NO5S MolecularWeight: 357.329226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C2=CC=CC=C2)C([N+](=O)[O-])(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H](C2=CC=CC=C2)C([N+](=O)[O-])(F)F

InChI

InChI=1S/C15H13F2NO5S/c1-11-7-9-13(10-8-11)24(21,22)23-14(15(16,17)18(19)20)12-5-3-2-4-6-12/h2-10,14H,1H3/t14-/m1/s1