4,5-bis(chloranyl)-2-octyl-1,2-thiazol-3-one hydrochloride

Systemtic Name: 4,5-bis(chloranyl)-2-octyl-1,2-thiazol-3-one hydrochloride Openeye Name: 4,5-dichloro-2-octyl-isothiazol-3-one hydrochloride CAS Name: 4,5-dichloro-2-octyl-3-isothiazolone hydrochloride IUPAC Name: 4,5-dichloro-2-octyl-1,2-thiazol-3-one hydrochloride Traditional Name: 4,5-dichloro-2-octyl-4-isothiazolin-3-one hydrochloride Formula: C11H18Cl3NOS MolecularWeight: 318.69072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C(=C(S1)Cl)Cl.Cl

Isomeric SMILES

CCCCCCCCN1C(=O)C(=C(S1)Cl)Cl.Cl

InChI

InChI=1S/C11H17Cl2NOS.ClH/c1-2-3-4-5-6-7-8-14-11(15)9(12)10(13)16-14;/h2-8H2,1H3;1H