3-ethyl-2-methylsulfanyl-1,3-benzothiazol-3-ium; methyl sulfate

Systemtic Name: 3-ethyl-2-methylsulfanyl-1,3-benzothiazol-3-ium; methyl sulfate Openeye Name: 3-ethyl-2-methylsulfanyl-1,3-benzothiazol-3-ium; methyl sulfate CAS Name: 3-ethyl-2-(methylthio)-1,3-benzothiazol-3-ium; methyl sulfate IUPAC Name: 3-ethyl-2-methylsulfanyl-1,3-benzothiazol-3-ium; methyl sulfate Traditional Name: 3-ethyl-2-(methylthio)-1,3-benzothiazol-3-ium; methyl sulfate Formula: C11H15NO4S3 MolecularWeight: 321.4361

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)SC.COS(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)SC.COS(=O)(=O)[O-]

InChI

InChI=1S/C10H12NS2.CH4O4S/c1-3-11-8-6-4-5-7-9(8)13-10(11)12-2;1-5-6(2,3)4/h4-7H,3H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1