1,3-benzothiazol-3-ium; methyl sulfate

Systemtic Name: 1,3-benzothiazol-3-ium; methyl sulfate Openeye Name: 1,3-benzothiazol-3-ium; methyl sulfate CAS Name: 1,3-benzothiazol-3-ium; methyl sulfate IUPAC Name: 1,3-benzothiazol-3-ium; methyl sulfate Traditional Name: 1,3-benzothiazol-3-ium; methyl sulfate Formula: C8H9NO4S2 MolecularWeight: 247.29136

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)[O-].C1=CC=C2C(=C1)[NH+]=CS2

Isomeric SMILES

COS(=O)(=O)[O-].C1=CC=C2C(=C1)[NH+]=CS2

InChI

InChI=1S/C7H5NS.CH4O4S/c1-2-4-7-6(3-1)8-5-9-7;1-5-6(2,3)4/h1-5H;1H3,(H,2,3,4)