(5-fluoranyl-2-nitro-phenyl) 4-methyl-3-nitro-benzenesulfonate

Systemtic Name: (5-fluoranyl-2-nitro-phenyl) 4-methyl-3-nitro-benzenesulfonate Openeye Name: (5-fluoro-2-nitro-phenyl) 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid (5-fluoro-2-nitrophenyl) ester IUPAC Name: (5-fluoro-2-nitrophenyl) 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid (5-fluoro-2-nitro-phenyl) ester Formula: C13H9FN2O7S MolecularWeight: 356.283163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)F)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)F)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H9FN2O7S/c1-8-2-4-10(7-12(8)16(19)20)24(21,22)23-13-6-9(14)3-5-11(13)15(17)18/h2-7H,1H3