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

Systemtic Name: (5-fluoranyl-2-nitro-phenyl) 4-methoxy-3-methyl-benzenesulfonate Openeye Name: (5-fluoro-2-nitro-phenyl) 4-methoxy-3-methyl-benzenesulfonate CAS Name: 4-methoxy-3-methylbenzenesulfonic acid (5-fluoro-2-nitrophenyl) ester IUPAC Name: (5-fluoro-2-nitrophenyl) 4-methoxy-3-methylbenzenesulfonate Traditional Name: 4-methoxy-3-methyl-benzenesulfonic acid (5-fluoro-2-nitro-phenyl) ester Formula: C14H12FNO6S MolecularWeight: 341.311583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12FNO6S/c1-9-7-11(4-6-13(9)21-2)23(19,20)22-14-8-10(15)3-5-12(14)16(17)18/h3-8H,1-2H3