potassium 3-(1,3-benzothiazol-2-ylsulfanyl)-2-oxidanyl-propane-1-sulfonate

Systemtic Name: potassium 3-(1,3-benzothiazol-2-ylsulfanyl)-2-oxidanyl-propane-1-sulfonate Openeye Name: potassium 3-(1,3-benzothiazol-2-ylsulfanyl)-2-hydroxy-propane-1-sulfonate CAS Name: potassium 3-(1,3-benzothiazol-2-ylthio)-2-hydroxy-1-propanesulfonate IUPAC Name: potassium 3-(1,3-benzothiazol-2-ylsulfanyl)-2-hydroxypropane-1-sulfonate Traditional Name: potassium 3-(1,3-benzothiazol-2-ylthio)-2-hydroxy-propane-1-sulfonate Formula: C10H10KNO4S3 MolecularWeight: 343.484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC(CS(=O)(=O)[O-])O.[K+]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC(CS(=O)(=O)[O-])O.[K+]

InChI

InChI=1S/C10H11NO4S3.K/c12-7(6-18(13,14)15)5-16-10-11-8-3-1-2-4-9(8)17-10;/h1-4,7,12H,5-6H2,(H,13,14,15);/q;+1/p-1