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AZW

Summary
Name:4-{(E)-[4-(hydroxymethyl)phenyl]diazenyl}benzyl dihydrogen phosphate
Formula:C14 H15 N2 O5 P
Formal charge:0
Formula weight:322.253 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-{(E)-[4-(hydroxymethyl)phenyl]diazenyl}benzyl dihydrogen phosphate
OpenEye OEToolkits1.7.6[4-[(E)-[4-(hydroxymethyl)phenyl]diazenyl]phenyl]methyl dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01P(O)(OCc1ccc(cc1)\N=N\c2ccc(cc2)CO)(O)=O
InChIInChI1.03InChI=1S/C14H15N2O5P/c17-9-11-1-5-13(6-2-11)15-16-14-7-3-12(4-8-14)10-21-22(18,19)20/h1-8,17H,9-10H2,(H2,18,19,20)/b16-15+
InChIKeyInChI1.03VKJQDDQQGBKCEZ-FOCLMDBBSA-N
SMILES_CANONICALCACTVS3.385OCc1ccc(cc1)N=Nc2ccc(CO[P](O)(O)=O)cc2
SMILESCACTVS3.385OCc1ccc(cc1)N=Nc2ccc(CO[P](O)(O)=O)cc2
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(ccc1CO)/N=N/c2ccc(cc2)COP(=O)(O)O
SMILESOpenEye OEToolkits1.7.6c1cc(ccc1CO)N=Nc2ccc(cc2)COP(=O)(O)O

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PDB entries from 2024-08-07

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