4-[bis(4-sulfonatophenyl)amino]benzenesulfonate

Systemtic Name: 4-[bis(4-sulfonatophenyl)amino]benzenesulfonate Openeye Name: 4-(4-sulfonato-N-(4-sulfonatophenyl)anilino)benzenesulfonate CAS Name: 4-(4-sulfonato-N-(4-sulfonatophenyl)anilino)benzenesulfonate IUPAC Name: 4-(4-sulfonato-N-(4-sulfonatophenyl)anilino)benzenesulfonate Traditional Name: 4-(4-sulfonato-N-(4-sulfonatophenyl)anilino)besylate Formula: C18H12NO9S3-3 MolecularWeight: 482.48418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(C2=CC=C(C=C2)S(=O)(=O)[O-])C3=CC=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N(C2=CC=C(C=C2)S(=O)(=O)[O-])C3=CC=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C18H15NO9S3/c20-29(21,22)16-7-1-13(2-8-16)19(14-3-9-17(10-4-14)30(23,24)25)15-5-11-18(12-6-15)31(26,27)28/h1-12H,(H,20,21,22)(H,23,24,25)(H,26,27,28)/p-3