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S10

Summary
Name:DIETHYL PROPANE-1,3-DIYLBISCARBAMATE
Formula:C9 H18 N2 O4
Formal charge:0
Formula weight:218.25 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04diethyl propane-1,3-diylbiscarbamate
OpenEye OEToolkits1.5.0ethyl N-[3-(ethoxycarbonylamino)propyl]carbamate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(OCC)NCCCNC(=O)OCC
SMILES_CANONICALCACTVS3.341CCOC(=O)NCCCNC(=O)OCC
SMILESCACTVS3.341CCOC(=O)NCCCNC(=O)OCC
SMILES_CANONICALOpenEye OEToolkits1.5.0CCOC(=O)NCCCNC(=O)OCC
SMILESOpenEye OEToolkits1.5.0CCOC(=O)NCCCNC(=O)OCC
InChIInChI1.03InChI=1S/C9H18N2O4/c1-3-14-8(12)10-6-5-7-11-9(13)15-4-2/h3-7H2,1-2H3,(H,10,12)(H,11,13)
InChIKeyInChI1.03BWWHOVJFNMPUKF-UHFFFAOYSA-N

222415

PDB entries from 2024-07-10

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