3-[[(3-oxidanidylperoxysulfanylphenyl)methyl-[(3-sulfonatophenyl)methyl]amino]methyl]benzenesulfonate

Systemtic Name: 3-[[(3-oxidanidylperoxysulfanylphenyl)methyl-[(3-sulfonatophenyl)methyl]amino]methyl]benzenesulfonate Openeye Name: 3-[[(3-oxidoperoxysulfanylphenyl)methyl-[(3-sulfonatophenyl)methyl]amino]methyl]benzenesulfonate CAS Name: 3-[[[3-(oxidodioxythio)phenyl]methyl-[(3-sulfonatophenyl)methyl]amino]methyl]benzenesulfonate IUPAC Name: 3-[[(3-oxidoperoxysulfanylphenyl)methyl-[(3-sulfonatophenyl)methyl]amino]methyl]benzenesulfonate Traditional Name: 3-[[[3-(oxidoperoxythio)benzyl]-(3-sulfonatobenzyl)amino]methyl]besylate Formula: C21H18NO9S3-3 MolecularWeight: 524.56392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SOO[O-])CN(CC2=CC(=CC=C2)S(=O)(=O)[O-])CC3=CC(=CC=C3)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)SOO[O-])CN(CC2=CC(=CC=C2)S(=O)(=O)[O-])CC3=CC(=CC=C3)S(=O)(=O)[O-]

InChI

InChI=1S/C21H21NO9S3/c23-30-31-32-19-7-1-4-16(10-19)13-22(14-17-5-2-8-20(11-17)33(24,25)26)15-18-6-3-9-21(12-18)34(27,28)29/h1-12,23H,13-15H2,(H,24,25,26)(H,27,28,29)/p-3