2-[bis(fluoranyl)methylsulfanyl]-3-methyl-1,3-benzothiazol-3-ium; methyl sulfate

Systemtic Name: 2-[bis(fluoranyl)methylsulfanyl]-3-methyl-1,3-benzothiazol-3-ium; methyl sulfate Openeye Name: 2-(difluoromethylsulfanyl)-3-methyl-1,3-benzothiazol-3-ium; methyl sulfate CAS Name: 2-(difluoromethylthio)-3-methyl-1,3-benzothiazol-3-ium; methyl sulfate IUPAC Name: 2-(difluoromethylsulfanyl)-3-methyl-1,3-benzothiazol-3-ium; methyl sulfate Traditional Name: 2-(difluoromethylthio)-3-methyl-1,3-benzothiazol-3-ium; methyl sulfate Formula: C10H11F2NO4S3 MolecularWeight: 343.390446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8F2NS2.CH4O4S/c1-12-6-4-2-3-5-7(6)13-9(12)14-8(10)11;1-5-6(2,3)4/h2-5,8H,1H3;1H3,(H,2,3,4)/q+1;/p-1