tert-butyl 3-fluoranyl-5-[(4-methylphenyl)sulfonylmethyl]-4-nitro-benzoate

Systemtic Name: tert-butyl 3-fluoranyl-5-[(4-methylphenyl)sulfonylmethyl]-4-nitro-benzoate Openeye Name: tert-butyl 3-fluoro-4-nitro-5-(p-tolylsulfonylmethyl)benzoate CAS Name: 3-fluoro-5-[(4-methylphenyl)sulfonylmethyl]-4-nitrobenzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-fluoro-5-[(4-methylphenyl)sulfonylmethyl]-4-nitrobenzoate Traditional Name: 3-fluoro-4-nitro-5-(tosylmethyl)benzoic acid tert-butyl ester Formula: C19H20FNO6S MolecularWeight: 409.428603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C(=CC(=C2)C(=O)OC(C)(C)C)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=C(C(=CC(=C2)C(=O)OC(C)(C)C)F)[N+](=O)[O-]

InChI

InChI=1S/C19H20FNO6S/c1-12-5-7-15(8-6-12)28(25,26)11-14-9-13(18(22)27-19(2,3)4)10-16(20)17(14)21(23)24/h5-10H,11H2,1-4H3