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C8A

Summary
Name:{[(4-benzylphenyl)amino]methylene}bis(phosphonic acid)
Formula:C14 H17 N O6 P2
Formal charge:0
Formula weight:357.235 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01{[(4-benzylphenyl)amino]methylene}bis(phosphonic acid)
OpenEye OEToolkits2.0.6[[[4-(phenylmethyl)phenyl]amino]-phosphono-methyl]phosphonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2(Cc1ccccc1)ccc(NC(P(O)(O)=O)P(O)(=O)O)cc2
InChIInChI1.03InChI=1S/C14H17NO6P2/c16-22(17,18)14(23(19,20)21)15-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9,14-15H,10H2,(H2,16,17,18)(H2,19,20,21)
InChIKeyInChI1.03UUWAWXLKQDUPIO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O[P](O)(=O)C(Nc1ccc(Cc2ccccc2)cc1)[P](O)(O)=O
SMILESCACTVS3.385O[P](O)(=O)C(Nc1ccc(Cc2ccccc2)cc1)[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(cc1)Cc2ccc(cc2)NC(P(=O)(O)O)P(=O)(O)O
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)Cc2ccc(cc2)NC(P(=O)(O)O)P(=O)(O)O

218500

PDB entries from 2024-04-17

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