[4-nitro-2-(trifluoromethyl)phenyl] methanesulfonate

Systemtic Name: [4-nitro-2-(trifluoromethyl)phenyl] methanesulfonate Openeye Name: [4-nitro-2-(trifluoromethyl)phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-nitro-2-(trifluoromethyl)phenyl] ester IUPAC Name: [4-nitro-2-(trifluoromethyl)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-nitro-2-(trifluoromethyl)phenyl] ester Formula: C8H6F3NO5S MolecularWeight: 285.19715

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CS(=O)(=O)OC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C8H6F3NO5S/c1-18(15,16)17-7-3-2-5(12(13)14)4-6(7)8(9,10)11/h2-4H,1H3