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0IL

Summary
Name:(3R)-3-(tetradecanoyloxy)tetradecanoic acid
Formula:C28 H54 O4
Formal charge:0
Formula weight:454.726 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(3R)-3-(tetradecanoyloxy)tetradecanoic acid
OpenEye OEToolkits1.7.6(3R)-3-tetradecanoyloxytetradecanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)CC(OC(=O)CCCCCCCCCCCCC)CCCCCCCCCCC
InChIInChI1.03InChI=1S/C28H54O4/c1-3-5-7-9-11-13-14-16-18-20-22-24-28(31)32-26(25-27(29)30)23-21-19-17-15-12-10-8-6-4-2/h26H,3-25H2,1-2H3,(H,29,30)/t26-/m1/s1
InChIKeyInChI1.03IYESSKQVAKTOQB-AREMUKBSSA-N
SMILES_CANONICALCACTVS3.370CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(O)=O
SMILESCACTVS3.370CCCCCCCCCCCCCC(=O)O[CH](CCCCCCCCCCC)CC(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O
SMILESOpenEye OEToolkits1.7.6CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)O

247947

PDB entries from 2026-01-21

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