4-chloranyl-2-(2,4,4-trimethylpentan-2-yl)-1,2-thiazol-3-one

Systemtic Name: 4-chloranyl-2-(2,4,4-trimethylpentan-2-yl)-1,2-thiazol-3-one Openeye Name: 4-chloro-2-(1,1,3,3-tetramethylbutyl)isothiazol-3-one CAS Name: 4-chloro-2-(2,4,4-trimethylpentan-2-yl)-3-isothiazolone IUPAC Name: 4-chloro-2-(2,4,4-trimethylpentan-2-yl)-1,2-thiazol-3-one Traditional Name: 4-chloro-2-(1,1,3,3-tetramethylbutyl)-4-isothiazolin-3-one Formula: C11H18ClNOS MolecularWeight: 247.78472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)N1C(=O)C(=CS1)Cl

Isomeric SMILES

CC(C)(C)CC(C)(C)N1C(=O)C(=CS1)Cl

InChI

InChI=1S/C11H18ClNOS/c1-10(2,3)7-11(4,5)13-9(14)8(12)6-15-13/h6H,7H2,1-5H3