3-methyl-2-methylsulfanyl-6-nitro-1,3-benzothiazol-3-ium; methyl sulfate

Systemtic Name: 3-methyl-2-methylsulfanyl-6-nitro-1,3-benzothiazol-3-ium; methyl sulfate Openeye Name: 3-methyl-2-methylsulfanyl-6-nitro-1,3-benzothiazol-3-ium; methyl sulfate CAS Name: 3-methyl-2-(methylthio)-6-nitro-1,3-benzothiazol-3-ium; methyl sulfate IUPAC Name: 3-methyl-2-methylsulfanyl-6-nitro-1,3-benzothiazol-3-ium; methyl sulfate Traditional Name: 3-methyl-2-(methylthio)-6-nitro-1,3-benzothiazol-3-ium; methyl sulfate Formula: C10H12N2O6S3 MolecularWeight: 352.40708

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=C1C=CC(=C2)[N+](=O)[O-])SC.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(SC2=C1C=CC(=C2)[N+](=O)[O-])SC.COS(=O)(=O)[O-]

InChI

InChI=1S/C9H9N2O2S2.CH4O4S/c1-10-7-4-3-6(11(12)13)5-8(7)15-9(10)14-2;1-5-6(2,3)4/h3-5H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1