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E3U

Summary
Name:(6aR)-3,4,6a,10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one
Formula:C16 H12 O6
Formal charge:0
Formula weight:300.263 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(6~{a}~{R})-3,4,6~{a},10-tetrakis(oxidanyl)-6,7-dihydroindeno[2,1-c]chromen-9-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C16H12O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,17,19-21H,5-6H2/t16-/m0/s1
InChIKeyInChI1.03HLUCICHZHWJHLL-INIZCTEOSA-N
SMILES_CANONICALCACTVS3.385Oc1ccc2c(OC[C@@]3(O)CC4=CC(=O)C(=CC4=C23)O)c1O
SMILESCACTVS3.385Oc1ccc2c(OC[C]3(O)CC4=CC(=O)C(=CC4=C23)O)c1O
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(c2c1C3=C4C=C(C(=O)C=C4C[C@@]3(CO2)O)O)O)O
SMILESOpenEye OEToolkits2.0.7c1cc(c(c2c1C3=C4C=C(C(=O)C=C4CC3(CO2)O)O)O)O

218853

PDB entries from 2024-04-24

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