disodium 4-[[4-[(4-oxidanidylperoxysulfanylphenyl)carbamoyl]phenyl]carbonylamino]benzenesulfonate

Systemtic Name: disodium 4-[[4-[(4-oxidanidylperoxysulfanylphenyl)carbamoyl]phenyl]carbonylamino]benzenesulfonate Openeye Name: disodium 4-[[4-[(4-oxidoperoxysulfanylphenyl)carbamoyl]benzoyl]amino]benzenesulfonate CAS Name: disodium 4-[[[4-[[4-(oxidodioxythio)anilino]-oxomethyl]phenyl]-oxomethyl]amino]benzenesulfonate IUPAC Name: disodium 4-[[4-[(4-oxidoperoxysulfanylphenyl)carbamoyl]benzoyl]amino]benzenesulfonate Traditional Name: disodium 4-[[4-[[4-(oxidoperoxythio)phenyl]carbamoyl]benzoyl]amino]besylate Formula: C20H14N2Na2O8S2 MolecularWeight: 520.4433

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)SOO[O-])C(=O)NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)SOO[O-])C(=O)NC3=CC=C(C=C3)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C20H16N2O8S2.2Na/c23-19(21-15-5-9-17(10-6-15)31-30-29-25)13-1-3-14(4-2-13)20(24)22-16-7-11-18(12-8-16)32(26,27)28;;/h1-12,25H,(H,21,23)(H,22,24)(H,26,27,28);;/q;2*+1/p-2