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PET

Summary
Name:1,5-DI(4-AMIDINOPHENOXY)-3-OXA-PENTANE
Formula:C18 H22 N4 O3
Formal charge:0
Formula weight:342.392 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044,4'-[oxybis(ethane-2,1-diyloxy)]dibenzenecarboximidamide
OpenEye OEToolkits1.5.04-[2-[2-(4-carbamimidoylphenoxy)ethoxy]ethoxy]benzenecarboximidamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O(c1ccc(cc1)C(=[N@H])N)CCOCCOc2ccc(C(=[N@H])N)cc2
SMILES_CANONICALCACTVS3.341NC(=N)c1ccc(OCCOCCOc2ccc(cc2)C(N)=N)cc1
SMILESCACTVS3.341NC(=N)c1ccc(OCCOCCOc2ccc(cc2)C(N)=N)cc1
SMILES_CANONICALOpenEye OEToolkits1.5.0[H]/N=C(\c1ccc(cc1)OCCOCCOc2ccc(cc2)C(=N)N)/N
SMILESOpenEye OEToolkits1.5.0[H]N=C(c1ccc(cc1)OCCOCCOc2ccc(cc2)C(=N)N)N
InChIInChI1.03InChI=1S/C18H22N4O3/c19-17(20)13-1-5-15(6-2-13)24-11-9-23-10-12-25-16-7-3-14(4-8-16)18(21)22/h1-8H,9-12H2,(H3,19,20)(H3,21,22)
InChIKeyInChI1.03RUGJWTYDBUIXNX-UHFFFAOYSA-N

222415

數據於2024-07-10公開中

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