(2-fluorophenyl) 2-methyl-5-nitro-benzenesulfonate

Systemtic Name: (2-fluorophenyl) 2-methyl-5-nitro-benzenesulfonate Openeye Name: (2-fluorophenyl) 2-methyl-5-nitro-benzenesulfonate CAS Name: 2-methyl-5-nitrobenzenesulfonic acid (2-fluorophenyl) ester IUPAC Name: (2-fluorophenyl) 2-methyl-5-nitrobenzenesulfonate Traditional Name: 2-methyl-5-nitro-benzenesulfonic acid (2-fluorophenyl) ester Formula: C13H10FNO5S MolecularWeight: 311.285603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=CC=C2F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)OC2=CC=CC=C2F

InChI

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