potassium 2-oxidanyl-3-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methoxy]propane-1-sulfonate

Systemtic Name: potassium 2-oxidanyl-3-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methoxy]propane-1-sulfonate Openeye Name: potassium 2-hydroxy-3-[(2-thioxo-1,3-benzothiazol-3-yl)methoxy]propane-1-sulfonate CAS Name: potassium 2-hydroxy-3-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methoxy]-1-propanesulfonate IUPAC Name: potassium 2-hydroxy-3-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methoxy]propane-1-sulfonate Traditional Name: potassium 2-hydroxy-3-[(2-thioxo-1,3-benzothiazol-3-yl)methoxy]propane-1-sulfonate Formula: C11H12KNO5S3 MolecularWeight: 373.50998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO5S3.K/c13-8(6-20(14,15)16)5-17-7-12-9-3-1-2-4-10(9)19-11(12)18;/h1-4,8,13H,5-7H2,(H,14,15,16);/q;+1/p-1