4-[3-[[3-(dihydroxyboranyl)phenyl]diazenyl]phenyl]sulfonylthiophene-2-sulfonic acid

Systemtic Name: 4-[3-[[3-(dihydroxyboranyl)phenyl]diazenyl]phenyl]sulfonylthiophene-2-sulfonic acid Openeye Name: 4-[3-(3-boronophenyl)azophenyl]sulfonylthiophene-2-sulfonic acid CAS Name: 4-[3-(3-boronophenyl)azophenyl]sulfonyl-2-thiophenesulfonic acid IUPAC Name: 4-[3-[(3-boronophenyl)diazenyl]phenyl]sulfonylthiophene-2-sulfonic acid Traditional Name: 4-[3-(3-boronophenyl)azophenyl]sulfonylthiophene-2-sulfonic acid Formula: C16H13BN2O7S3 MolecularWeight: 452.28962

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(=CC=C1)N=NC2=CC(=CC=C2)S(=O)(=O)C3=CSC(=C3)S(=O)(=O)O)(O)O

Isomeric SMILES

B(C1=CC(=CC=C1)N=NC2=CC(=CC=C2)S(=O)(=O)C3=CSC(=C3)S(=O)(=O)O)(O)O

InChI

InChI=1S/C16H13BN2O7S3/c20-17(21)11-3-1-4-12(7-11)18-19-13-5-2-6-14(8-13)28(22,23)15-9-16(27-10-15)29(24,25)26/h1-10,20-21H,(H,24,25,26)