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2IL

Summary
Name:(3R)-3-(dodecanoyloxy)tetradecanoic acid
Formula:C26 H50 O4
Formal charge:0
Formula weight:426.673 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(3R)-3-(dodecanoyloxy)tetradecanoic acid
OpenEye OEToolkits1.7.6(3R)-3-dodecanoyloxytetradecanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)CC(OC(=O)CCCCCCCCCCC)CCCCCCCCCCC
InChIInChI1.03InChI=1S/C26H50O4/c1-3-5-7-9-11-13-15-17-19-21-24(23-25(27)28)30-26(29)22-20-18-16-14-12-10-8-6-4-2/h24H,3-23H2,1-2H3,(H,27,28)/t24-/m1/s1
InChIKeyInChI1.03IKRFTYQBIVDIMM-XMMPIXPASA-N
SMILES_CANONICALCACTVS3.370CCCCCCCCCCC[C@H](CC(O)=O)OC(=O)CCCCCCCCCCC
SMILESCACTVS3.370CCCCCCCCCCC[CH](CC(O)=O)OC(=O)CCCCCCCCCCC
SMILES_CANONICALOpenEye OEToolkits1.7.6CCCCCCCCCCC[C@H](CC(=O)O)OC(=O)CCCCCCCCCCC
SMILESOpenEye OEToolkits1.7.6CCCCCCCCCCCC(CC(=O)O)OC(=O)CCCCCCCCCCC

223532

數據於2024-08-07公開中

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