Potassium;3,4,5-Trihydroxy-6-[2-Oxo-4-(Trifluoromethyl)Chromen-7-Yl]Oxy-Tetrahydropyran-2-Carboxylic Acid
[CAS# 143547-78-8]

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Identification
Name	Potassium;3,4,5-Trihydroxy-6-[2-Oxo-4-(Trifluoromethyl)Chromen-7-Yl]Oxy-Tetrahydropyran-2-Carboxylic Acid
Synonyms	4-Trifluoromethyl-7-hydroxycoumarin glucuronide; 4-Trifluoromethylumbelliferyl glucuronide potassium salt

Molecular Structure
Molecular Formula	C₁₆H₁₃F₃KO₉
Molecular Weight	445.36
CAS Registry Number	143547-78-8
SMILES	c1cc2c(cc(=O)oc2cc1OC3C(C(C(C(O3)C(=O)O)O)O)O)C(F)(F)F.[K]
InChI	1S/C16H13F3O9.K/c17-16(18,19)7-4-9(20)27-8-3-5(1-2-6(7)8)26-15-12(23)10(21)11(22)13(28-15)14(24)25;/h1-4,10-13,15,21-23H,(H,24,25);
InChIKey	WJDSTCFAMAOWDB-UHFFFAOYSA-N

Properties
Refractive index	(Cal.)

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Potassium;3,4,5-Trihydroxy-6-[2-Oxo-4-(Trifluoromethyl)Chromen-7-Yl]Oxy-Tetrahydropyran-2-Carboxylic Acid[CAS# 143547-78-8]