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6DK

Summary
Name:9,9,9-tris(fluoranyl)-8,8-bis(oxidanyl)-~{N}-phenyl-nonanamide
Formula:C15 H20 F3 N O3
Formal charge:0
Formula weight:319.319 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.59,9,9-tris(fluoranyl)-8,8-bis(oxidanyl)-~{N}-phenyl-nonanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C15H20F3NO3/c16-15(17,18)14(21,22)11-7-2-1-6-10-13(20)19-12-8-4-3-5-9-12/h3-5,8-9,21-22H,1-2,6-7,10-11H2,(H,19,20)
InChIKeyInChI1.03DOVGAPNVSPZBAT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385OC(O)(CCCCCCC(=O)Nc1ccccc1)C(F)(F)F
SMILESCACTVS3.385OC(O)(CCCCCCC(=O)Nc1ccccc1)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.5c1ccc(cc1)NC(=O)CCCCCCC(C(F)(F)F)(O)O
SMILESOpenEye OEToolkits2.0.5c1ccc(cc1)NC(=O)CCCCCCC(C(F)(F)F)(O)O

221051

PDB entries from 2024-06-12

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