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KR0

Summary
Name:3-decanoyloxypropyl decanoate
Formula:C23 H44 O4
Formal charge:0
Formula weight:384.593 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.7.63-decanoyloxypropyl decanoate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C23H44O4/c1-3-5-7-9-11-13-15-18-22(24)26-20-17-21-27-23(25)19-16-14-12-10-8-6-4-2/h3-21H2,1-2H3
InChIKeyInChI1.03PXVAQENAIBBOHT-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCCCCCCCCC(=O)OCCCOC(=O)CCCCCCCCC
SMILESCACTVS3.385CCCCCCCCCC(=O)OCCCOC(=O)CCCCCCCCC
SMILES_CANONICALOpenEye OEToolkits1.7.6CCCCCCCCCC(=O)OCCCOC(=O)CCCCCCCCC
SMILESOpenEye OEToolkits1.7.6CCCCCCCCCC(=O)OCCCOC(=O)CCCCCCCCC

218853

PDB entries from 2024-04-24

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