F2X

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Summary

Name:(2~{R})-2-methyl-5-oxidanyl-2,3-dihydronaphthalene-1,4-dione
Formula:C11 H10 O3
Formal charge:0
Molecular weight:190.195 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(2~{R})-2-methyl-5-oxidanyl-2,3-dihydronaphthalene-1,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C11H10O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-4,6,12H,5H2,1H3/t6-/m1/s1
InChIKeyInChI1.03ALPCEXCHMFUSAN-ZCFIWIBFSA-N
SMILES_CANONICALCACTVS3.385C[C@@H]1CC(=O)c2c(O)cccc2C1=O
SMILESCACTVS3.385C[CH]1CC(=O)c2c(O)cccc2C1=O
SMILES_CANONICALOpenEye OEToolkits2.0.7C[C@@H]1CC(=O)c2c(cccc2O)C1=O
SMILESOpenEye OEToolkits2.0.7CC1CC(=O)c2c(cccc2O)C1=O
167518
PDB entries from 2020-08-12