potassium sodium 4-(4-methylsulfanylphenyl)benzenesulfonate

Systemtic Name: potassium sodium 4-(4-methylsulfanylphenyl)benzenesulfonate Openeye Name: potassium sodium 4-(4-methylsulfanylphenyl)benzenesulfonate CAS Name: potassium sodium 4-[4-(methylthio)phenyl]benzenesulfonate IUPAC Name: potassium sodium 4-(4-methylsulfanylphenyl)benzenesulfonate Traditional Name: potassium sodium 4-[4-(methylthio)phenyl]besylate Formula: C26H22KNaO6S4 MolecularWeight: 620.79735

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)[O-].CSC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)[O-].[Na+].[K+]

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)[O-].CSC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)[O-].[Na+].[K+]

InChI

InChI=1S/2C13H12O3S2.K.Na/c2*1-17-12-6-2-10(3-7-12)11-4-8-13(9-5-11)18(14,15)16;;/h2*2-9H,1H3,(H,14,15,16);;/q;;2*+1/p-2