4-[(4-sulfonatophenyl)amino]benzenesulfonate

Systemtic Name: 4-[(4-sulfonatophenyl)amino]benzenesulfonate Openeye Name: 4-(4-sulfonatoanilino)benzenesulfonate CAS Name: 4-(4-sulfonatoanilino)benzenesulfonate IUPAC Name: 4-(4-sulfonatoanilino)benzenesulfonate Traditional Name: 4-(4-sulfonatoanilino)besylate Formula: C12H9NO6S2-2 MolecularWeight: 327.33296

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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)/p-2