sodium 4-(4-sulfophenyl)sulfanylbenzenesulfonic acid

Systemtic Name: sodium 4-(4-sulfophenyl)sulfanylbenzenesulfonic acid Openeye Name: sodium 4-(4-sulfophenyl)sulfanylbenzenesulfonic acid CAS Name: sodium 4-[(4-sulfophenyl)thio]benzenesulfonic acid IUPAC Name: sodium 4-(4-sulfophenyl)sulfanylbenzenesulfonic acid Traditional Name: sodium 4-[(4-sulfophenyl)thio]besylic acid Formula: C12H10NaO6S3+ MolecularWeight: 369.38897

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SC2=CC=C(C=C2)S(=O)(=O)O)S(=O)(=O)O.[Na+]

Isomeric SMILES

C1=CC(=CC=C1SC2=CC=C(C=C2)S(=O)(=O)O)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C12H10O6S3.Na/c13-20(14,15)11-5-1-9(2-6-11)19-10-3-7-12(8-4-10)21(16,17)18;/h1-8H,(H,13,14,15)(H,16,17,18);/q;+1