sodium 4-(4-sulfophenyl)benzenesulfonate

Systemtic Name: sodium 4-(4-sulfophenyl)benzenesulfonate Openeye Name: sodium 4-(4-sulfophenyl)benzenesulfonate CAS Name: sodium 4-(4-sulfophenyl)benzenesulfonate IUPAC Name: sodium 4-(4-sulfophenyl)benzenesulfonate Traditional Name: sodium 4-(4-sulfophenyl)besylate Formula: C12H9NaO6S2 MolecularWeight: 336.31603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)O.[Na+]

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)[O-])S(=O)(=O)O.[Na+]

InChI

InChI=1S/C12H10O6S2.Na/c13-19(14,15)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20(16,17)18;/h1-8H,(H,13,14,15)(H,16,17,18);/q;+1/p-1