4-[[4-[4-[(4-sulfophenyl)amino]phenyl]carbonylphenyl]amino]benzenesulfonic acid

Systemtic Name: 4-[[4-[4-[(4-sulfophenyl)amino]phenyl]carbonylphenyl]amino]benzenesulfonic acid Openeye Name: 4-[4-[4-(4-sulfoanilino)benzoyl]anilino]benzenesulfonic acid CAS Name: 4-[4-[oxo-[4-(4-sulfoanilino)phenyl]methyl]anilino]benzenesulfonic acid IUPAC Name: 4-[4-[4-(4-sulfoanilino)benzoyl]anilino]benzenesulfonic acid Traditional Name: 4-[4-[4-(4-sulfoanilino)benzoyl]anilino]besylic acid Formula: C25H20N2O7S2 MolecularWeight: 524.5655

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)NC3=CC=C(C=C3)S(=O)(=O)O)NC4=CC=C(C=C4)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)NC3=CC=C(C=C3)S(=O)(=O)O)NC4=CC=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C25H20N2O7S2/c28-25(17-1-5-19(6-2-17)26-21-9-13-23(14-10-21)35(29,30)31)18-3-7-20(8-4-18)27-22-11-15-24(16-12-22)36(32,33)34/h1-16,26-27H,(H,29,30,31)(H,32,33,34)