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EYK

Summary
Name:2-tert-butylbenzene-1,4-diol
Formula:C10 H14 O2
Formal charge:0
Formula weight:166.217 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-tert-butylbenzene-1,4-diol
OpenEye OEToolkits1.5.02-tert-butylbenzene-1,4-diol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Oc1ccc(O)cc1C(C)(C)C
SMILES_CANONICALCACTVS3.341CC(C)(C)c1cc(O)ccc1O
SMILESCACTVS3.341CC(C)(C)c1cc(O)ccc1O
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(C)(C)c1cc(ccc1O)O
SMILESOpenEye OEToolkits1.5.0CC(C)(C)c1cc(ccc1O)O
InChIInChI1.03InChI=1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3
InChIKeyInChI1.03BGNXCDMCOKJUMV-UHFFFAOYSA-N

221051

PDB entries from 2024-06-12

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