Molecule record

2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]cyclohexane-1,3-dione

C₁₇H₁₆ClF₃O₆S

440.82 g/mol

Loading structure

Molecular properties

Formula: C₁₇H₁₆ClF₃O₆S
Molar mass: 440.82 g·mol⁻¹
Exact mass: 440.0308 Da
: 8
PubChem CID: 11556911

Functional groups

Alkane / alkyl carbon

Alkyl halide

Aromatic ring

Aryl halide

Ether

Ketone

Sulfone

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

2-(2-CHLORO-4-MESYL-3-((2,2,2-TRIFLUOROETHOXY)METHYL)BENZOYL)CYCLOHEXANE-1,3-DIONE
2-[2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl]-1,3-cyclohexanedione
2-{2-CHLORO-4-METHANESULFONYL-3-[(2,2,2-TRIFLUOROETHOXY)METHYL]BENZOYL}CYCLOHEXANE-1,3-DIONE
335104-84-2
608-879-8
A1I7G
AE-0172747
C17H16ClF3O6S

Show all 24 synonyms

CHEBI:132273
CHEMBL2272077
DTXCID3027037
DTXSID5047037
HSDB 7881
MFCD11840613
RefChem:187796
SCHEMBL116424
SCHEMBL29352862
TEMBOTRIONE [MI]
Tembotrion
Tembotrione
Tembotrione [ISO]
UNII-WA5UZ202KS
WA5UZ202KS
orb2664848

Structure identifiers

Canonical SMILES: CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1COCC(F)(F)F
Isomeric SMILES: CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)C2C(=O)CCCC2=O)Cl)COCC(F)(F)F
InChI: InChI=1S/C17H16ClF3O6S/c1-28(25,26)13-6-5-9(15(18)10(13)7-27-8-17(19,20)21)16(24)14-11(22)3-2-4-12(14)23/h5-6,14H,2-4,7-8H2,1H3
InChIKey: IUQAXCIUEPFPSF-UHFFFAOYSA-N
PubChem CID: 11556911

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library

No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]cyclohexane-1,3-dione; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-[2-chloro-4-methylsulfonyl-3-(2,2,2-trifluoroethoxymethyl)benzoyl]cyclohexane-1,3-dione; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)

Open source record