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TRT

Summary
Name:FRAGMENT OF TRITON X-100
Synonyms:1-{2-[2-(2-METHOXYETHOXY)ETHOXY]ETHOXY}-4-(1,1,3,3-TETRAMETHYLBUTYL)BENZENE
Formula:C21 H36 O4
Formal charge:0
Formula weight:352.508 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-{2-[2-(2-methoxyethoxy)ethoxy]ethoxy}-4-(1,1,3,3-tetramethylbutyl)benzene
OpenEye OEToolkits1.5.01-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-(2,4,4-trimethylpentan-2-yl)benzene

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCOCCOCCOC
SMILES_CANONICALCACTVS3.341COCCOCCOCCOc1ccc(cc1)C(C)(C)CC(C)(C)C
SMILESCACTVS3.341COCCOCCOCCOc1ccc(cc1)C(C)(C)CC(C)(C)C
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC
SMILESOpenEye OEToolkits1.5.0CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC
InChIInChI1.03InChI=1S/C21H36O4/c1-20(2,3)17-21(4,5)18-7-9-19(10-8-18)25-16-15-24-14-13-23-12-11-22-6/h7-10H,11-17H2,1-6H3
InChIKeyInChI1.03HEUDUECKTWTQQR-UHFFFAOYSA-N

221051

PDB entries from 2024-06-12

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