hydrogen sulfate; 3-methyl-2H-1,3-benzothiazol-1-ium

Systemtic Name: hydrogen sulfate; 3-methyl-2H-1,3-benzothiazol-1-ium Openeye Name: hydrogen sulfate; 3-methyl-2H-1,3-benzothiazol-1-ium CAS Name: hydrogen sulfate; 3-methyl-2H-1,3-benzothiazol-1-ium IUPAC Name: hydrogen sulfate; 3-methyl-2H-1,3-benzothiazol-1-ium Traditional Name: 3-methyl-2H-1,3-benzothiazol-1-ium bisulfate Formula: C8H11NO4S2 MolecularWeight: 249.30724

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Descriptors Computed from Structure

Canonical SMILES:

CN1C[SH+]C2=CC=CC=C21.OS(=O)(=O)[O-]

Isomeric SMILES

CN1C[SH+]C2=CC=CC=C21.OS(=O)(=O)[O-]

InChI

InChI=1S/C8H9NS.H2O4S/c1-9-6-10-8-5-3-2-4-7(8)9;1-5(2,3)4/h2-5H,6H2,1H3;(H2,1,2,3,4)