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SummaryGeometryRelated PDB entries

5K2

Summary
Name:4,4'-(3,4-dihydronaphthalen-2(1H)-ylidenemethanediyl)diphenol
Formula:C23 H20 O2
Formal charge:0
Formula weight:328.404 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014,4'-(3,4-dihydronaphthalen-2(1H)-ylidenemethanediyl)diphenol
OpenEye OEToolkits1.9.24-[3,4-dihydro-1H-naphthalen-2-ylidene-(4-hydroxyphenyl)methyl]phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C\2Cc1ccccc1CC/2=C(\c3ccc(cc3)O)c4ccc(cc4)O
InChIInChI1.03InChI=1S/C23H20O2/c24-21-11-7-17(8-12-21)23(18-9-13-22(25)14-10-18)20-6-5-16-3-1-2-4-19(16)15-20/h1-4,7-14,24-25H,5-6,15H2
InChIKeyInChI1.03VWBHJKZUPJSBJB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1ccc(cc1)C(=C2CCc3ccccc3C2)c4ccc(O)cc4
SMILESCACTVS3.385Oc1ccc(cc1)C(=C2CCc3ccccc3C2)c4ccc(O)cc4
SMILES_CANONICALOpenEye OEToolkits1.9.2c1ccc2c(c1)CCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2
SMILESOpenEye OEToolkits1.9.2c1ccc2c(c1)CCC(=C(c3ccc(cc3)O)c4ccc(cc4)O)C2

219140

PDB entries from 2024-05-01

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