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PXS

Summary
Name:(2S)-propane-1,2-diyl dihexadecanoate
Formula:C35 H68 O4
Formal charge:0
Formula weight:552.912 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs11.02(2S)-propane-1,2-diyl dihexadecanoate
OpenEye OEToolkits1.6.1[(2S)-2-hexadecanoyloxypropyl] hexadecanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs11.02O=C(OC(C)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
SMILES_CANONICALCACTVS3.352CCCCCCCCCCCCCCCC(=O)OC[C@H](C)OC(=O)CCCCCCCCCCCCCCC
SMILESCACTVS3.352CCCCCCCCCCCCCCCC(=O)OC[CH](C)OC(=O)CCCCCCCCCCCCCCC
SMILES_CANONICALOpenEye OEToolkits1.7.0CCCCCCCCCCCCCCCC(=O)OC[C@H](C)OC(=O)CCCCCCCCCCCCCCC
SMILESOpenEye OEToolkits1.7.0CCCCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCCCCCCCC
InChIInChI1.03InChI=1S/C35H68O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-34(36)38-32-33(3)39-35(37)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h33H,4-32H2,1-3H3/t33-/m0/s1
InChIKeyInChI1.03UWTZRBLIYNMYTC-XIFFEERXSA-N

222624

數據於2024-07-17公開中

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