3-(dihydroxyboranyloxy)-5-isothiocyanato-benzoic acid

Systemtic Name: 3-(dihydroxyboranyloxy)-5-isothiocyanato-benzoic acid Openeye Name: 3-boronooxy-5-isothiocyanato-benzoic acid CAS Name: 3-boronooxy-5-isothiocyanatobenzoic acid IUPAC Name: 3-boronooxy-5-isothiocyanatobenzoic acid Traditional Name: 3-boronooxy-5-isothiocyanato-benzoic acid Formula: C8H6BNO5S MolecularWeight: 239.01294

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Descriptors Computed from Structure

Canonical SMILES:

B(O)(O)OC1=CC(=CC(=C1)N=C=S)C(=O)O

Isomeric SMILES

B(O)(O)OC1=CC(=CC(=C1)N=C=S)C(=O)O

InChI

InChI=1S/C8H6BNO5S/c11-8(12)5-1-6(10-4-16)3-7(2-5)15-9(13)14/h1-3,13-14H,(H,11,12)