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SummaryGeometryRelated PDB entries

T0C

Summary
Name:(2~{R})-2-[4-(naphthalen-1-ylmethoxy)phenyl]-4-oxidanyl-3-phenyl-2~{H}-furan-5-one
Formula:C27 H20 O4
Formal charge:0
Formula weight:408.445 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(2~{R})-2-[4-(naphthalen-1-ylmethoxy)phenyl]-4-oxidanyl-3-phenyl-2~{H}-furan-5-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C27H20O4/c28-25-24(19-8-2-1-3-9-19)26(31-27(25)29)20-13-15-22(16-14-20)30-17-21-11-6-10-18-7-4-5-12-23(18)21/h1-16,26,28H,17H2/t26-/m1/s1
InChIKeyInChI1.06TUGRJQUAOWPYSJ-AREMUKBSSA-N
SMILES_CANONICALCACTVS3.385OC1=C([C@H](OC1=O)c2ccc(OCc3cccc4ccccc34)cc2)c5ccccc5
SMILESCACTVS3.385OC1=C([CH](OC1=O)c2ccc(OCc3cccc4ccccc34)cc2)c5ccccc5
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)C2=C(C(=O)O[C@@H]2c3ccc(cc3)OCc4cccc5c4cccc5)O
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)C2=C(C(=O)OC2c3ccc(cc3)OCc4cccc5c4cccc5)O

222415

數據於2024-07-10公開中

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