methyl sulfate; 3,4,5-tris(chloranyl)-2-methyl-1,2-thiazol-2-ium

Systemtic Name: methyl sulfate; 3,4,5-tris(chloranyl)-2-methyl-1,2-thiazol-2-ium Openeye Name: methyl sulfate; 3,4,5-trichloro-2-methyl-isothiazol-2-ium CAS Name: methyl sulfate; 3,4,5-trichloro-2-methylisothiazol-2-ium IUPAC Name: methyl sulfate; 3,4,5-trichloro-2-methyl-1,2-thiazol-2-ium Traditional Name: methyl sulfate; 3,4,5-trichloro-2-methyl-isothiazol-2-ium Formula: C5H6Cl3NO4S2 MolecularWeight: 314.59444

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(=C(S1)Cl)Cl)Cl.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(C(=C(S1)Cl)Cl)Cl.COS(=O)(=O)[O-]

InChI

InChI=1S/C4H3Cl3NS.CH4O4S/c1-8-3(6)2(5)4(7)9-8;1-5-6(2,3)4/h1H3;1H3,(H,2,3,4)/q+1;/p-1