2-[(4-azanylperoxysulfanylphenyl)amino]-5-[(4-sulfamoylphenyl)amino]cyclohexa-1,4-diene-1,4-dicarboxylic acid

Systemtic Name: 2-[(4-azanylperoxysulfanylphenyl)amino]-5-[(4-sulfamoylphenyl)amino]cyclohexa-1,4-diene-1,4-dicarboxylic acid Openeye Name: 2-(4-aminoperoxysulfanylanilino)-5-(4-sulfamoylanilino)cyclohexa-1,4-diene-1,4-dicarboxylic acid CAS Name: 2-[4-(aminodioxythio)anilino]-5-(4-sulfamoylanilino)cyclohexa-1,4-diene-1,4-dicarboxylic acid IUPAC Name: 2-(4-aminoperoxysulfanylanilino)-5-(4-sulfamoylanilino)cyclohexa-1,4-diene-1,4-dicarboxylic acid Traditional Name: 2-[4-(aminoperoxythio)anilino]-5-(4-sulfamoylanilino)cyclohexa-1,4-diene-1,4-dicarboxylic acid Formula: C20H20N4O8S2 MolecularWeight: 508.5248

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(CC(=C1NC2=CC=C(C=C2)SOON)C(=O)O)NC3=CC=C(C=C3)S(=O)(=O)N)C(=O)O

Isomeric SMILES

C1C(=C(CC(=C1NC2=CC=C(C=C2)SOON)C(=O)O)NC3=CC=C(C=C3)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C20H20N4O8S2/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/h1-8,23-24H,9-10,21H2,(H,25,26)(H,27,28)(H2,22,29,30)