2-[[4-[4-[(2-carboxyphenyl)amino]phenyl]sulfanylphenyl]amino]benzoic acid

Systemtic Name: 2-[[4-[4-[(2-carboxyphenyl)amino]phenyl]sulfanylphenyl]amino]benzoic acid Openeye Name: 2-[4-[4-(2-carboxyanilino)phenyl]sulfanylanilino]benzoic acid CAS Name: 2-[4-[[4-(2-carboxyanilino)phenyl]thio]anilino]benzoic acid IUPAC Name: 2-[4-[4-(2-carboxyanilino)phenyl]sulfanylanilino]benzoic acid Traditional Name: 2-[4-[[4-(2-carboxyanilino)phenyl]thio]anilino]benzoic acid Formula: C26H20N2O4S MolecularWeight: 456.513

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C26H20N2O4S/c29-25(30)21-5-1-3-7-23(21)27-17-9-13-19(14-10-17)33-20-15-11-18(12-16-20)28-24-8-4-2-6-22(24)26(31)32/h1-16,27-28H,(H,29,30)(H,31,32)