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Summary
Name:1,3-dihydroxypropan-2-yl (9Z)-octadec-9-enoate
Formula:C21 H40 O4
Formal charge:0
Formula weight:356.54 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.011,3-dihydroxypropan-2-yl (9Z)-octadec-9-enoate
OpenEye OEToolkits2.0.71,3-bis(oxidanyl)propan-2-yl (~{Z})-octadec-9-enoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O(C(CO)CO)C(=O)CCCCCCC[C@H]=CCCCCCCCC
InChIInChI1.03InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-
InChIKeyInChI1.03UPWGQKDVAURUGE-KTKRTIGZSA-N
SMILES_CANONICALCACTVS3.385CCCCCCCC\C=C/CCCCCCCC(=O)OC(CO)CO
SMILESCACTVS3.385CCCCCCCCC=CCCCCCCCC(=O)OC(CO)CO
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO
SMILESOpenEye OEToolkits2.0.7CCCCCCCCC=CCCCCCCCC(=O)OC(CO)CO

223532

数据于2024-08-07公开中

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