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

Systemtic Name: 2-[(4-azanylperoxysulfanylphenyl)amino]-5-[(4-methylphenyl)amino]terephthalic acid Openeye Name: 2-(4-aminoperoxysulfanylanilino)-5-(4-methylanilino)terephthalic acid CAS Name: 2-[4-(aminodioxythio)anilino]-5-(4-methylanilino)terephthalic acid IUPAC Name: 2-(4-aminoperoxysulfanylanilino)-5-(4-methylanilino)terephthalic acid Traditional Name: 2-[4-(aminoperoxythio)anilino]-5-(p-toluidino)terephthalic acid Formula: C21H19N3O6S MolecularWeight: 441.45706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C=C(C(=C2)C(=O)O)NC3=CC=C(C=C3)SOON)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C=C(C(=C2)C(=O)O)NC3=CC=C(C=C3)SOON)C(=O)O

InChI

InChI=1S/C21H19N3O6S/c1-12-2-4-13(5-3-12)23-18-10-17(21(27)28)19(11-16(18)20(25)26)24-14-6-8-15(9-7-14)31-30-29-22/h2-11,23-24H,22H2,1H3,(H,25,26)(H,27,28)