(5-fluoranyl-2-nitro-phenyl) 3,4-dimethylbenzenesulfonate

Systemtic Name: (5-fluoranyl-2-nitro-phenyl) 3,4-dimethylbenzenesulfonate Openeye Name: (5-fluoro-2-nitro-phenyl) 3,4-dimethylbenzenesulfonate CAS Name: 3,4-dimethylbenzenesulfonic acid (5-fluoro-2-nitrophenyl) ester IUPAC Name: (5-fluoro-2-nitrophenyl) 3,4-dimethylbenzenesulfonate Traditional Name: 3,4-dimethylbenzenesulfonic acid (5-fluoro-2-nitro-phenyl) ester Formula: C14H12FNO5S MolecularWeight: 325.312183

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C14H12FNO5S/c1-9-3-5-12(7-10(9)2)22(19,20)21-14-8-11(15)4-6-13(14)16(17)18/h3-8H,1-2H3