1-oxidanidyl-2-(2,4,4-trimethylpentan-2-yl)-1,2-thiazol-1-ium-3-one

Systemtic Name: 1-oxidanidyl-2-(2,4,4-trimethylpentan-2-yl)-1,2-thiazol-1-ium-3-one Openeye Name: 1-oxido-2-(1,1,3,3-tetramethylbutyl)isothiazol-1-ium-3-one CAS Name: 1-oxido-2-(2,4,4-trimethylpentan-2-yl)-3-isothiazol-1-iumone IUPAC Name: 1-oxido-2-(2,4,4-trimethylpentan-2-yl)-1,2-thiazol-1-ium-3-one Traditional Name: 1-oxido-2-(1,1,3,3-tetramethylbutyl)-4-isothiazolin-1-ium-3-one Formula: C11H19NO2S MolecularWeight: 229.33906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)N1C(=O)C=C[S+]1[O-]

Isomeric SMILES

CC(C)(C)CC(C)(C)N1C(=O)C=C[S+]1[O-]

InChI

InChI=1S/C11H19NO2S/c1-10(2,3)8-11(4,5)12-9(13)6-7-15(12)14/h6-7H,8H2,1-5H3