2-[(4-azanylperoxysulfanylphenyl)amino]-5-[(4-sulfamoylphenyl)amino]terephthalic acid

Systemtic Name: 2-[(4-azanylperoxysulfanylphenyl)amino]-5-[(4-sulfamoylphenyl)amino]terephthalic acid Openeye Name: 2-(4-aminoperoxysulfanylanilino)-5-(4-sulfamoylanilino)terephthalic acid CAS Name: 2-[4-(aminodioxythio)anilino]-5-(4-sulfamoylanilino)terephthalic acid IUPAC Name: 2-(4-aminoperoxysulfanylanilino)-5-(4-sulfamoylanilino)terephthalic acid Traditional Name: 2-[4-(aminoperoxythio)anilino]-5-(4-sulfamoylanilino)terephthalic acid Formula: C20H18N4O8S2 MolecularWeight: 506.50892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=C(C=C(C(=C2)C(=O)O)NC3=CC=C(C=C3)S(=O)(=O)N)C(=O)O)SOON

Isomeric SMILES

C1=CC(=CC=C1NC2=C(C=C(C(=C2)C(=O)O)NC3=CC=C(C=C3)S(=O)(=O)N)C(=O)O)SOON

InChI

InChI=1S/C20H18N4O8S2/c21-31-32-33-13-5-1-11(2-6-13)23-17-9-16(20(27)28)18(10-15(17)19(25)26)24-12-3-7-14(8-4-12)34(22,29)30/h1-10,23-24H,21H2,(H,25,26)(H,27,28)(H2,22,29,30)