XPM

tetradecylpropanedioic acid

Created: 2011-10-05
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count53
Chiral Atom Count0
Bond Count52
Aromatic Bond Count0
2D diagram of XPM

Chemical Component Summary

Nametetradecylpropanedioic acid
Systematic Name (OpenEye OEToolkits)2-tetradecylpropanedioic acid
FormulaC17 H32 O4
Molecular Weight300.434
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=C(O)C(C(=O)O)CCCCCCCCCCCCCC
SMILESCACTVS3.370CCCCCCCCCCCCCCC(C(O)=O)C(O)=O
SMILESOpenEye OEToolkits1.7.2CCCCCCCCCCCCCCC(C(=O)O)C(=O)O
Canonical SMILESCACTVS3.370 CCCCCCCCCCCCCCC(C(O)=O)C(O)=O
Canonical SMILESOpenEye OEToolkits1.7.2 CCCCCCCCCCCCCCC(C(=O)O)C(=O)O
InChIInChI1.03 InChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16(18)19)17(20)21/h15H,2-14H2,1H3,(H,18,19)(H,20,21)
InChIKeyInChI1.03 SMTKGALBDOEZCA-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 138268