(2-fluorophenyl)methyl 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: (2-fluorophenyl)methyl 4-methylsulfonyl-3-nitro-benzoate Openeye Name: (2-fluorophenyl)methyl 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid (2-fluorophenyl)methyl ester IUPAC Name: (2-fluorophenyl)methyl 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid (2-fluorobenzyl) ester Formula: C15H12FNO6S MolecularWeight: 353.322283

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2F)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2F)[N+](=O)[O-]

InChI

InChI=1S/C15H12FNO6S/c1-24(21,22)14-7-6-10(8-13(14)17(19)20)15(18)23-9-11-4-2-3-5-12(11)16/h2-8H,9H2,1H3