(3-ethyl-2H-1,3-benzothiazol-6-yl) hydrogen sulfate

Systemtic Name: (3-ethyl-2H-1,3-benzothiazol-6-yl) hydrogen sulfate Openeye Name: (3-ethyl-2H-1,3-benzothiazol-6-yl) hydrogen sulfate CAS Name: sulfuric acid (3-ethyl-2H-1,3-benzothiazol-6-yl) ester IUPAC Name: (3-ethyl-2H-1,3-benzothiazol-6-yl) hydrogen sulfate Traditional Name: sulfuric acid (3-ethyl-2H-1,3-benzothiazol-6-yl) ester Formula: C9H11NO4S2 MolecularWeight: 261.31794

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CSC2=C1C=CC(=C2)OS(=O)(=O)O

Isomeric SMILES

CCN1CSC2=C1C=CC(=C2)OS(=O)(=O)O

InChI

InChI=1S/C9H11NO4S2/c1-2-10-6-15-9-5-7(3-4-8(9)10)14-16(11,12)13/h3-5H,2,6H2,1H3,(H,11,12,13)