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IdentifiersCAS 79538-32-2

Identifiers

CAS
79538-32-2
Formula
C₁₇H₁₄ClF₇O₂
InChIKey
ZFHGXWPMULPQSE-SZGBIDFHSA-N
ZFHGXWPMULPQSE-WTKPLQERSA-N
InChI
InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-
InChI=1S/C17H14ClF7O2/c1-6-11(19)13(21)7(14(22)12(6)20)5-27-15(26)10-8(16(10,2)3)4-9(18)17(23,24)25/h4,8,10H,5H2,1-3H3/b9-4-/t8-,10-/m1/s1
SMILES
CC1=C(C(=C(C(=C1F)F)COC(=O)C2C(C2(C)C)/C=C(/C(F)(F)F)\Cl)F)F
CC1=C(C(=C(C(=C1F)F)COC(=O)C2C(C2(C)C)C=C(C(F)(F)F)Cl)F)F
CC1=C(C(=C(C(=C1F)F)COC(=O)[C@H]2[C@H](C2(C)C)/C=C(/C(F)(F)F)\Cl)F)F
PubChem CID
11534837
5281874
ChemSpider
4445167
9709620
EC number
616-699-6
ChEBI
78106
78107
ChEMBL
CHEMBL1335810
KEGG
C10992
Wikidata
Q424921;Q27147645
NZIoC name
Cyclopropanecarboxylic acid, 3-(1Z)-2-chloro-3,3,3-trifluoro-1-propenyl-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester, (1R,3R)-rel-

Synonyms (1)

2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate

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