4,5-bis(chloranyl)-2-octyl-1,2-thiazol-3-one; 3-chloranyl-N-octyl-propanamide

Systemtic Name: 4,5-bis(chloranyl)-2-octyl-1,2-thiazol-3-one; 3-chloranyl-N-octyl-propanamide Openeye Name: 3-chloro-N-octyl-propanamide; 4,5-dichloro-2-octyl-isothiazol-3-one CAS Name: 3-chloro-N-octylpropanamide; 4,5-dichloro-2-octyl-3-isothiazolone IUPAC Name: 3-chloro-N-octylpropanamide; 4,5-dichloro-2-octyl-1,2-thiazol-3-one Traditional Name: 3-chloro-N-octyl-propionamide; 4,5-dichloro-2-octyl-4-isothiazolin-3-one Formula: C22H39Cl3N2O2S MolecularWeight: 501.98126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17Cl2NOS.C11H22ClNO/c1-2-3-4-5-6-7-8-14-11(15)9(12)10(13)16-14;1-2-3-4-5-6-7-10-13-11(14)8-9-12/h2-8H2,1H3;2-10H2,1H3,(H,13,14)