(4-methyl-2-nitro-phenyl) 2,5-bis(fluoranyl)benzenesulfonate

Systemtic Name: (4-methyl-2-nitro-phenyl) 2,5-bis(fluoranyl)benzenesulfonate Openeye Name: (4-methyl-2-nitro-phenyl) 2,5-difluorobenzenesulfonate CAS Name: 2,5-difluorobenzenesulfonic acid (4-methyl-2-nitrophenyl) ester IUPAC Name: (4-methyl-2-nitrophenyl) 2,5-difluorobenzenesulfonate Traditional Name: 2,5-difluorobenzenesulfonic acid (4-methyl-2-nitro-phenyl) ester Formula: C13H9F2NO5S MolecularWeight: 329.276066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9F2NO5S/c1-8-2-5-12(11(6-8)16(17)18)21-22(19,20)13-7-9(14)3-4-10(13)15/h2-7H,1H3