2-(4-methylphenyl)sulfonyl-1-oxidanyl-2,3,1-benzodiazaborinine-7-carboxylic acid

Systemtic Name: 2-(4-methylphenyl)sulfonyl-1-oxidanyl-2,3,1-benzodiazaborinine-7-carboxylic acid Openeye Name: 1-hydroxy-2-(p-tolylsulfonyl)-2,3,1-benzodiazaborinine-7-carboxylic acid CAS Name: 1-hydroxy-2-(4-methylphenyl)sulfonyl-2,3,1-benzodiazaborine-7-carboxylic acid IUPAC Name: 1-hydroxy-2-(4-methylphenyl)sulfonyl-2,3,1-benzodiazaborinine-7-carboxylic acid Traditional Name: 1-hydroxy-2-tosyl-2,3,1-benzodiazaborine-7-carboxylic acid Formula: C15H13BN2O5S MolecularWeight: 344.15012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13BN2O5S/c1-10-2-6-13(7-3-10)24(22,23)18-16(21)14-8-11(15(19)20)4-5-12(14)9-17-18/h2-9,21H,1H3,(H,19,20)