(5-fluoranyl-2-nitro-phenyl) 4-methylbenzenesulfonate

Systemtic Name: (5-fluoranyl-2-nitro-phenyl) 4-methylbenzenesulfonate Openeye Name: (5-fluoro-2-nitro-phenyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-fluoro-2-nitrophenyl) ester IUPAC Name: (5-fluoro-2-nitrophenyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-fluoro-2-nitro-phenyl) ester Formula: C13H10FNO5S MolecularWeight: 311.285603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10FNO5S/c1-9-2-5-11(6-3-9)21(18,19)20-13-8-10(14)4-7-12(13)15(16)17/h2-8H,1H3