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X7F

Summary
Name:5,8-bis(oxidanyl)naphthalene-1,4-dione
Formula:C10 H6 O4
Formal charge:0
Formula weight:190.152 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.75,8-bis(oxidanyl)naphthalene-1,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C10H6O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4,11-12H
InChIKeyInChI1.06RQNVIKXOOKXAJQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Oc1ccc(O)c2C(=O)C=CC(=O)c12
SMILESCACTVS3.385Oc1ccc(O)c2C(=O)C=CC(=O)c12
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c2c(c1O)C(=O)C=CC2=O)O
SMILESOpenEye OEToolkits2.0.7c1cc(c2c(c1O)C(=O)C=CC2=O)O

227111

PDB entries from 2024-11-06

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