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

Systemtic Name: 2-[2,3-bis(fluoranyl)-6-nitro-phenoxy]propan-2-yl 4-methylbenzenesulfonate Openeye Name: [1-(2,3-difluoro-6-nitro-phenoxy)-1-methyl-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(2,3-difluoro-6-nitrophenoxy)propan-2-yl ester IUPAC Name: 2-(2,3-difluoro-6-nitrophenoxy)propan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-(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)(C)OC2=C(C=CC(=C2F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)(C)OC2=C(C=CC(=C2F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H15F2NO6S/c1-10-4-6-11(7-5-10)26(22,23)25-16(2,3)24-15-13(19(20)21)9-8-12(17)14(15)18/h4-9H,1-3H3