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Summary

Name:(2E)-3,7-dimethylocta-2,6-dienoic acid
Formula:C10 H16 O2
Formal charge:0
Molecular weight:168.233 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2E)-3,7-dimethylocta-2,6-dienoic acid
OpenEye OEToolkits1.9.2(2E)-3,7-dimethylocta-2,6-dienoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CC(=[C@H]CCC(=[C@H]C(O)=O)C)C
InChIInChI1.03InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/b9-7+
InChIKeyInChI1.03ZHYZQXUYZJNEHD-VQHVLOKHSA-N
SMILES_CANONICALCACTVS3.385CC(C)=CCC\C(C)=C\C(O)=O
SMILESCACTVS3.385CC(C)=CCCC(C)=CC(O)=O
SMILES_CANONICALOpenEye OEToolkits1.9.2CC(=CCC/C(=C/C(=O)O)/C)C
SMILESOpenEye OEToolkits1.9.2CC(=CCCC(=CC(=O)O)C)C
171916
PDB entries from 2020-12-02