5-chloranyl-2-(3-oxidanylideneoctyl)-1,2-thiazol-3-one

Systemtic Name: 5-chloranyl-2-(3-oxidanylideneoctyl)-1,2-thiazol-3-one Openeye Name: 5-chloro-2-(3-oxooctyl)isothiazol-3-one CAS Name: 5-chloro-2-(3-oxooctyl)-3-isothiazolone IUPAC Name: 5-chloro-2-(3-oxooctyl)-1,2-thiazol-3-one Traditional Name: 5-chloro-2-(3-ketooctyl)-4-isothiazolin-3-one Formula: C11H16ClNO2S MolecularWeight: 261.76824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)CCN1C(=O)C=C(S1)Cl

Isomeric SMILES

CCCCCC(=O)CCN1C(=O)C=C(S1)Cl

InChI

InChI=1S/C11H16ClNO2S/c1-2-3-4-5-9(14)6-7-13-11(15)8-10(12)16-13/h8H,2-7H2,1H3