[2-(dihydroxyboranyl)-4-(ethanoylsulfanylmethyl)phenyl]boronic acid

Systemtic Name: [2-(dihydroxyboranyl)-4-(ethanoylsulfanylmethyl)phenyl]boronic acid Openeye Name: [4-(acetylsulfanylmethyl)-2-borono-phenyl]boronic acid CAS Name: [4-[(acetylthio)methyl]-2-boronophenyl]boronic acid IUPAC Name: [4-(acetylsulfanylmethyl)-2-boronophenyl]boronic acid Traditional Name: [4-[(acetylthio)methyl]-2-borono-phenyl]boronic acid Formula: C9H12B2O5S MolecularWeight: 253.87558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C1=C(C=C(C=C1)CSC(=O)C)B(O)O)(O)O

Isomeric SMILES

B(C1=C(C=C(C=C1)CSC(=O)C)B(O)O)(O)O

InChI

InChI=1S/C9H12B2O5S/c1-6(12)17-5-7-2-3-8(10(13)14)9(4-7)11(15)16/h2-4,13-16H,5H2,1H3