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

Systemtic Name: (2-chloranyl-4-fluoranyl-5-nitro-phenyl) 4-methyl-3-nitro-benzenesulfonate Openeye Name: (2-chloro-4-fluoro-5-nitro-phenyl) 4-methyl-3-nitro-benzenesulfonate CAS Name: 4-methyl-3-nitrobenzenesulfonic acid (2-chloro-4-fluoro-5-nitrophenyl) ester IUPAC Name: (2-chloro-4-fluoro-5-nitrophenyl) 4-methyl-3-nitrobenzenesulfonate Traditional Name: 4-methyl-3-nitro-benzenesulfonic acid (2-chloro-4-fluoro-5-nitro-phenyl) ester Formula: C13H8ClFN2O7S MolecularWeight: 390.728223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8ClFN2O7S/c1-7-2-3-8(4-11(7)16(18)19)25(22,23)24-13-6-12(17(20)21)10(15)5-9(13)14/h2-6H,1H3