5-fluoranyl-1-oxidanyl-2-(2,4,6-trimethylphenyl)sulfonyl-2,3,1-benzodiazaborinine

Systemtic Name: 5-fluoranyl-1-oxidanyl-2-(2,4,6-trimethylphenyl)sulfonyl-2,3,1-benzodiazaborinine Openeye Name: 5-fluoro-1-hydroxy-2-(2,4,6-trimethylphenyl)sulfonyl-2,3,1-benzodiazaborinine CAS Name: 5-fluoro-1-hydroxy-2-(2,4,6-trimethylphenyl)sulfonyl-2,3,1-benzodiazaborine IUPAC Name: 5-fluoro-1-hydroxy-2-(2,4,6-trimethylphenyl)sulfonyl-2,3,1-benzodiazaborinine Traditional Name: 5-fluoro-1-hydroxy-2-mesitylsulfonyl-2,3,1-benzodiazaborine Formula: C16H16BFN2O3S MolecularWeight: 346.184243

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Descriptors Computed from Structure

Canonical SMILES:

B1(C2=C(C=NN1S(=O)(=O)C3=C(C=C(C=C3C)C)C)C(=CC=C2)F)O

Isomeric SMILES

B1(C2=C(C=NN1S(=O)(=O)C3=C(C=C(C=C3C)C)C)C(=CC=C2)F)O

InChI

InChI=1S/C16H16BFN2O3S/c1-10-7-11(2)16(12(3)8-10)24(22,23)20-17(21)14-5-4-6-15(18)13(14)9-19-20/h4-9,21H,1-3H3