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8EU

Summary
Name:ethyl-[(4-nitrophenyl)methoxy]phosphinic acid
Formula:C9 H12 N O5 P
Formal charge:0
Formula weight:245.169 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6ethyl-[(4-nitrophenyl)methoxy]phosphinic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C9H12NO5P/c1-2-16(13,14)15-7-8-3-5-9(6-4-8)10(11)12/h3-6H,2,7H2,1H3,(H,13,14)
InChIKeyInChI1.03JKNVUUFWZPUKAB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC[P](O)(=O)OCc1ccc(cc1)[N+]([O-])=O
SMILESCACTVS3.385CC[P](O)(=O)OCc1ccc(cc1)[N+]([O-])=O
SMILES_CANONICALOpenEye OEToolkits2.0.6CCP(=O)(O)OCc1ccc(cc1)[N+](=O)[O-]
SMILESOpenEye OEToolkits2.0.6CCP(=O)(O)OCc1ccc(cc1)[N+](=O)[O-]

223790

PDB entries from 2024-08-14

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