JAA

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Summary

Name:{(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetic acid
Formula:C12 H18 O3
Formal charge:0
Molecular weight:210.27 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01{(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetic acid
OpenEye OEToolkits1.9.22-[(1R,2R)-3-oxidanylidene-2-[(Z)-pent-2-enyl]cyclopentyl]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1C(C(CC(=O)O)CC1)C\C=C/CC
InChIInChI1.03InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1
InChIKeyInChI1.03ZNJFBWYDHIGLCU-HWKXXFMVSA-N
SMILES_CANONICALCACTVS3.385CC\C=C/C[C@@H]1[C@H](CCC1=O)CC(O)=O
SMILESCACTVS3.385CCC=CC[CH]1[CH](CCC1=O)CC(O)=O
SMILES_CANONICALOpenEye OEToolkits1.9.2CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)O
SMILESOpenEye OEToolkits1.9.2CCC=CCC1C(CCC1=O)CC(=O)O