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

Systemtic Name: 4-[(4-sulfophenyl)amino]benzenesulfonic acid Openeye Name: 4-(4-sulfoanilino)benzenesulfonic acid CAS Name: 4-(4-sulfoanilino)benzenesulfonic acid IUPAC Name: 4-(4-sulfoanilino)benzenesulfonic acid Traditional Name: 4-(4-sulfoanilino)besylic acid Formula: C12H11NO6S2 MolecularWeight: 329.34884

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=CC=C(C=C2)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC2=CC=C(C=C2)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C12H11NO6S2/c14-20(15,16)11-5-1-9(2-6-11)13-10-3-7-12(8-4-10)21(17,18)19/h1-8,13H,(H,14,15,16)(H,17,18,19)