[3-cyano-2-(dioxidanylmethyl)-5-phenyl-phenyl]boronic acid

Systemtic Name: [3-cyano-2-(dioxidanylmethyl)-5-phenyl-phenyl]boronic acid Openeye Name: [3-cyano-2-(hydroperoxymethyl)-5-phenyl-phenyl]boronic acid CAS Name: [3-cyano-2-(hydroperoxymethyl)-5-phenylphenyl]boronic acid IUPAC Name: [3-cyano-2-(hydroperoxymethyl)-5-phenylphenyl]boronic acid Traditional Name: [3-cyano-2-(hydroperoxymethyl)-5-phenyl-phenyl]boronic acid Formula: C14H12BNO4 MolecularWeight: 269.06038

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=CC(=C1COO)C#N)C2=CC=CC=C2)(O)O

Isomeric SMILES

B(C1=CC(=CC(=C1COO)C#N)C2=CC=CC=C2)(O)O

InChI

InChI=1S/C14H12BNO4/c16-8-12-6-11(10-4-2-1-3-5-10)7-14(15(17)18)13(12)9-20-19/h1-7,17-19H,9H2