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Y06

Summary
Name:(2-{2-[(3-chlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid
Formula:C14 H13 Cl N O5 P
Formal charge:0
Formula weight:341.683 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2-{2-[(3-chlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid
OpenEye OEToolkits1.7.6[2-[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc2cc(NC(=O)COc1ccccc1P(=O)(O)O)ccc2
InChIInChI1.03InChI=1S/C14H13ClNO5P/c15-10-4-3-5-11(8-10)16-14(17)9-21-12-6-1-2-7-13(12)22(18,19)20/h1-8H,9H2,(H,16,17)(H2,18,19,20)
InChIKeyInChI1.03FTNJLVOFZPLMJE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370O[P](O)(=O)c1ccccc1OCC(=O)Nc2cccc(Cl)c2
SMILESCACTVS3.370O[P](O)(=O)c1ccccc1OCC(=O)Nc2cccc(Cl)c2
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(c(c1)OCC(=O)Nc2cccc(c2)Cl)P(=O)(O)O
SMILESOpenEye OEToolkits1.7.6c1ccc(c(c1)OCC(=O)Nc2cccc(c2)Cl)P(=O)(O)O

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PDB entries from 2026-02-04

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