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Y03

Summary
Name:(2-{2-[(3,5-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid
Formula:C14 H12 Cl2 N O5 P
Formal charge:0
Formula weight:376.129 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2-{2-[(3,5-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid
OpenEye OEToolkits1.7.6[2-[2-[[3,5-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc2cc(NC(=O)COc1ccccc1P(=O)(O)O)cc(Cl)c2
InChIInChI1.03InChI=1S/C14H12Cl2NO5P/c15-9-5-10(16)7-11(6-9)17-14(18)8-22-12-3-1-2-4-13(12)23(19,20)21/h1-7H,8H2,(H,17,18)(H2,19,20,21)
InChIKeyInChI1.03CPVQZZLNMCVTEO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370O[P](O)(=O)c1ccccc1OCC(=O)Nc2cc(Cl)cc(Cl)c2
SMILESCACTVS3.370O[P](O)(=O)c1ccccc1OCC(=O)Nc2cc(Cl)cc(Cl)c2
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(c(c1)OCC(=O)Nc2cc(cc(c2)Cl)Cl)P(=O)(O)O
SMILESOpenEye OEToolkits1.7.6c1ccc(c(c1)OCC(=O)Nc2cc(cc(c2)Cl)Cl)P(=O)(O)O

223532

數據於2024-08-07公開中

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