2-tert-butyl-5-chloranyl-1-oxidanylidene-1,2-thiazol-3-one; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-tert-butyl-5-chloranyl-1-oxidanylidene-1,2-thiazol-3-one; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-tert-butyl-5-chloro-1-oxo-isothiazol-3-one; 2,2,2-trifluoroacetic acid CAS Name: 2-tert-butyl-5-chloro-1-oxo-3-isothiazolone; 2,2,2-trifluoroacetic acid IUPAC Name: 2-tert-butyl-5-chloro-1-oxo-1,2-thiazol-3-one; 2,2,2-trifluoroacetic acid Traditional Name: 2-tert-butyl-5-chloro-1-keto-isothiazol-3-one; 2,2,2-trifluoroacetic acid Formula: C9H11ClF3NO4S MolecularWeight: 321.70115

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C=C(S1=O)Cl.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC(C)(C)N1C(=O)C=C(S1=O)Cl.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C7H10ClNO2S.C2HF3O2/c1-7(2,3)9-6(10)4-5(8)12(9)11;3-2(4,5)1(6)7/h4H,1-3H3;(H,6,7)