5-chloranyl-2-octyl-2,5-dihydro-1,2-thiazol-2-ium chloride

Systemtic Name: 5-chloranyl-2-octyl-2,5-dihydro-1,2-thiazol-2-ium chloride Openeye Name: 5-chloro-2-octyl-2,5-dihydroisothiazol-2-ium chloride CAS Name: 5-chloro-2-octyl-2,5-dihydroisothiazol-2-ium chloride IUPAC Name: 5-chloro-2-octyl-2,5-dihydro-1,2-thiazol-2-ium chloride Traditional Name: 5-chloro-2-octyl-3-isothiazolin-2-ium chloride Formula: C11H21Cl2NS MolecularWeight: 270.26214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H20ClNS.ClH/c1-2-3-4-5-6-7-9-13-10-8-11(12)14-13;/h8,10-11H,2-7,9H2,1H3;1H