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

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

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Descriptors Computed from Structure

Canonical SMILES:

[H+].C[N+]1=CSC2=CC=CC=C21.[O-]S(=O)(=O)[O-]

Isomeric SMILES

[H+].C[N+]1=CSC2=CC=CC=C21.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C8H8NS.H2O4S/c1-9-6-10-8-5-3-2-4-7(8)9;1-5(2,3)4/h2-6H,1H3;(H2,1,2,3,4)/q+1;/p-1