[2,3,4,5,6-pentakis(fluoranyl)phenyl] 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: [2,3,4,5,6-pentakis(fluoranyl)phenyl] 2-methyl-5-nitro-benzenesulfonate Openeye Name: (2,3,4,5,6-pentafluorophenyl) 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid (2,3,4,5,6-pentafluorophenyl) ester IUPAC Name: (2,3,4,5,6-pentafluorophenyl) 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid (2,3,4,5,6-pentafluorophenyl) ester Formula: C13H6F5NO5S MolecularWeight: 383.247456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H6F5NO5S/c1-5-2-3-6(19(20)21)4-7(5)25(22,23)24-13-11(17)9(15)8(14)10(16)12(13)18/h2-4H,1H3