4-chloranyl-2-octyl-1,2-thiazol-5-one

Systemtic Name: 4-chloranyl-2-octyl-1,2-thiazol-5-one Openeye Name: 4-chloro-2-octyl-isothiazol-5-one CAS Name: 4-chloro-2-octyl-5-isothiazolone IUPAC Name: 4-chloro-2-octyl-1,2-thiazol-5-one Traditional Name: 4-chloro-2-octyl-3-isothiazolin-5-one Formula: C11H18ClNOS MolecularWeight: 247.78472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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