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Y07

Summary
Name:[2-(2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-oxoethoxy)phenyl]phosphonic acid
Formula:C15 H12 Cl F3 N O5 P
Formal charge:0
Formula weight:409.681 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01[2-(2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-oxoethoxy)phenyl]phosphonic acid
OpenEye OEToolkits1.7.6[2-[2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc2ccc(cc2NC(=O)COc1ccccc1P(=O)(O)O)C(F)(F)F
InChIInChI1.03InChI=1S/C15H12ClF3NO5P/c16-10-6-5-9(15(17,18)19)7-11(10)20-14(21)8-25-12-3-1-2-4-13(12)26(22,23)24/h1-7H,8H2,(H,20,21)(H2,22,23,24)
InChIKeyInChI1.03JQGAEOCOPMLHLZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370O[P](O)(=O)c1ccccc1OCC(=O)Nc2cc(ccc2Cl)C(F)(F)F
SMILESCACTVS3.370O[P](O)(=O)c1ccccc1OCC(=O)Nc2cc(ccc2Cl)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(c(c1)OCC(=O)Nc2cc(ccc2Cl)C(F)(F)F)P(=O)(O)O
SMILESOpenEye OEToolkits1.7.6c1ccc(c(c1)OCC(=O)Nc2cc(ccc2Cl)C(F)(F)F)P(=O)(O)O

227111

数据于2024-11-06公开中

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