292173-91-2
(2-METHOXY-4-[4-OXO-2-THIOXO-3-(3-TRIFLUOROMETHYL-PHENYL)-THIAZOLIDIN-5-YLIDENEMETHYL]-PHENOXY)-ACETIC ACID
Name(2-METHOXY-4-[4-OXO-2-THIOXO-3-(3-TRIFLUOROMETHYL-PHENYL)-THIAZOLIDIN-5-YLIDENEMETHYL]-PHENOXY)-ACETIC ACID
pro_formulaC20 H14 F3 N O5 S2
1Identification
【Name】
(2-METHOXY-4-[4-OXO-2-THIOXO-3-(3-TRIFLUOROMETHYL-PHENYL)-THIAZOLIDIN-5-YLIDENEMETHYL]-PHENOXY)-ACETIC ACID
【CAS】
【MDL】
MFCD01835980
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C20 H14 F3 N O5 S2
【pro_molWeight】
469.459
【Inchi】
InChI=1S/C20H14F3NO5S2/c1-28-15-7-11(5-6-14(15)29-10-17(25)26)8-16-18(27)24(19(30)31-16)13-4-2-3-12(9-13)20(21,22)23/h2-9H,10H2,1H3,(H,25,26)/b16-8-
【InChIKey】
InChIKey=VYKVUKXEWUALQJ-PXNMLYILSA-N
【SMILES】
COc1cc(ccc1OCC(=O)O)/C=C\2/C(=O)N(C(=S)S2)c3cccc(c3)C(F)(F)F
【MOL File】
(2-METHOXY-4-[4-OXO-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
(2-METHOXY-4-[4-OXO-2-THIOXO-3-(3-TRIFLUOROMETHYL-PHENYL)-THIAZOLIDIN-5-YLIDENEMETHYL]-PHENOXY)-ACETIC ACID.cml