L6J

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Summary

Name:[(1R,2R)-2-(2-methoxybenzene-1-carbonyl)cyclopentyl]propanedioic acid
Formula:C16 H18 O6
Formal charge:0
Molecular weight:306.311 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01[(1R,2R)-2-(2-methoxybenzene-1-carbonyl)cyclopentyl]propanedioic acid
OpenEye OEToolkits2.0.72-[2-(2-methoxyphenyl)carbonylcyclopentyl]propanedioic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C2(C(c1c(cccc1)OC)=O)CCCC2C(C(=O)O)C(=O)O
InChIInChI1.03InChI=1S/C16H18O6/c1-22-12-8-3-2-5-11(12)14(17)10-7-4-6-9(10)13(15(18)19)16(20)21/h2-3,5,8-10,13H,4,6-7H2,1H3,(H,18,19)(H,20,21)/t9?,10-/m1/s1
InChIKeyInChI1.03KFADNUOGNGGPQM-QVDQXJPCSA-N
SMILES_CANONICALCACTVS3.385COc1ccccc1C(=O)[C@@H]2CCC[C@H]2C(C(O)=O)C(O)=O
SMILESCACTVS3.385COc1ccccc1C(=O)[CH]2CCC[CH]2C(C(O)=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1ccccc1C(=O)C2CCCC2C(C(=O)O)C(=O)O
SMILESOpenEye OEToolkits2.0.7COc1ccccc1C(=O)C2CCCC2C(C(=O)O)C(=O)O