3-[(3-sulfophenyl)-[3-(trioxidanylsulfanyl)phenyl]amino]benzenesulfonic acid

Systemtic Name: 3-[(3-sulfophenyl)-[3-(trioxidanylsulfanyl)phenyl]amino]benzenesulfonic acid Openeye Name: 3-[N-(3-sulfophenyl)-3-(trioxidanylsulfanyl)anilino]benzenesulfonic acid CAS Name: 3-[N-(3-sulfophenyl)-3-(trioxidanylthio)anilino]benzenesulfonic acid IUPAC Name: 3-[N-(3-sulfophenyl)-3-(trioxidanylsulfanyl)anilino]benzenesulfonic acid Traditional Name: 3-[N-(3-sulfophenyl)-3-(trioxidanylthio)anilino]besylic acid Formula: C18H15NO9S3 MolecularWeight: 485.508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SOOO)N(C2=CC(=CC=C2)S(=O)(=O)O)C3=CC(=CC=C3)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)SOOO)N(C2=CC(=CC=C2)S(=O)(=O)O)C3=CC(=CC=C3)S(=O)(=O)O

InChI

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