4-chloranyl-2-octyl-2H-1,2-thiazol-2-ium-5-one chloride

Systemtic Name: 4-chloranyl-2-octyl-2H-1,2-thiazol-2-ium-5-one chloride Openeye Name: 4-chloro-2-octyl-2H-isothiazol-2-ium-5-one chloride CAS Name: 4-chloro-2-octyl-2H-isothiazol-2-ium-5-one chloride IUPAC Name: 4-chloro-2-octyl-2H-1,2-thiazol-2-ium-5-one chloride Traditional Name: 4-chloro-2-octyl-3-isothiazolin-2-ium-5-one chloride Formula: C11H19Cl2NOS MolecularWeight: 284.24566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[NH+]1C=C(C(=O)S1)Cl.[Cl-]

Isomeric SMILES

CCCCCCCC[NH+]1C=C(C(=O)S1)Cl.[Cl-]

InChI

InChI=1S/C11H18ClNOS.ClH/c1-2-3-4-5-6-7-8-13-9-10(12)11(14)15-13;/h9H,2-8H2,1H3;1H