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CC2

Summary
Name:4-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)-2H-chromen-2-one
Formula:C22 H18 O3
Formal charge:0
Formula weight:330.377 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs11.024-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)-2H-chromen-2-one
OpenEye OEToolkits1.6.14-hydroxy-6,7-dimethyl-3-(naphthalen-1-ylmethyl)chromen-2-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02O=C2Oc1cc(c(cc1C(O)=C2Cc4c3ccccc3ccc4)C)C
SMILES_CANONICALCACTVS3.352Cc1cc2OC(=O)C(=C(O)c2cc1C)Cc3cccc4ccccc34
SMILESCACTVS3.352Cc1cc2OC(=O)C(=C(O)c2cc1C)Cc3cccc4ccccc34
SMILES_CANONICALOpenEye OEToolkits1.7.0Cc1cc2c(cc1C)OC(=O)C(=C2O)Cc3cccc4c3cccc4
SMILESOpenEye OEToolkits1.7.0Cc1cc2c(cc1C)OC(=O)C(=C2O)Cc3cccc4c3cccc4
InChIInChI1.03InChI=1S/C22H18O3/c1-13-10-18-20(11-14(13)2)25-22(24)19(21(18)23)12-16-8-5-7-15-6-3-4-9-17(15)16/h3-11,23H,12H2,1-2H3
InChIKeyInChI1.03CLIXIKBUGAHFJT-UHFFFAOYSA-N

218500

PDB entries from 2024-04-17

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