potassium 3-[(3-methylsulfanyloxyphenyl)sulfonylamino]benzenesulfonate

Systemtic Name: potassium 3-[(3-methylsulfanyloxyphenyl)sulfonylamino]benzenesulfonate Openeye Name: potassium 3-[(3-methylsulfanyloxyphenyl)sulfonylamino]benzenesulfonate CAS Name: potassium 3-[[3-(methylthio)oxyphenyl]sulfonylamino]benzenesulfonate IUPAC Name: potassium 3-[(3-methylsulfanyloxyphenyl)sulfonylamino]benzenesulfonate Traditional Name: potassium 3-[[3-(methylthio)oxyphenyl]sulfonylamino]besylate Formula: C13H12KNO6S3 MolecularWeight: 413.53078

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Descriptors Computed from Structure

Canonical SMILES:

CSOC1=CC(=CC=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)[O-].[K+]

Isomeric SMILES

CSOC1=CC(=CC=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)[O-].[K+]

InChI

InChI=1S/C13H13NO6S3.K/c1-21-20-11-5-3-6-12(9-11)22(15,16)14-10-4-2-7-13(8-10)23(17,18)19;/h2-9,14H,1H3,(H,17,18,19);/q;+1/p-1