[(2S)-1-[2,3-bis(fluoranyl)-6-nitro-phenoxy]propan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-1-[2,3-bis(fluoranyl)-6-nitro-phenoxy]propan-2-yl] 4-methylbenzenesulfonate Openeye Name: [(1S)-2-(2,3-difluoro-6-nitro-phenoxy)-1-methyl-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-1-(2,3-difluoro-6-nitrophenoxy)propan-2-yl] ester IUPAC Name: [(2S)-1-(2,3-difluoro-6-nitrophenoxy)propan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S)-2-(2,3-difluoro-6-nitro-phenoxy)-1-methyl-ethyl] ester Formula: C16H15F2NO6S MolecularWeight: 387.355206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)COC2=C(C=CC(=C2F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H](C)COC2=C(C=CC(=C2F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H15F2NO6S/c1-10-3-5-12(6-4-10)26(22,23)25-11(2)9-24-16-14(19(20)21)8-7-13(17)15(16)18/h3-8,11H,9H2,1-2H3/t11-/m0/s1