XPM
tetradecylpropanedioic acid
Created: | 2011-10-05 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 53 |
Chiral Atom Count | 0 |
Bond Count | 52 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | tetradecylpropanedioic acid |
Systematic Name (OpenEye OEToolkits) | 2-tetradecylpropanedioic acid |
Formula | C17 H32 O4 |
Molecular Weight | 300.434 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(C(=O)O)CCCCCCCCCCCCCC |
SMILES | CACTVS | 3.370 | CCCCCCCCCCCCCCC(C(O)=O)C(O)=O |
SMILES | OpenEye OEToolkits | 1.7.2 | CCCCCCCCCCCCCCC(C(=O)O)C(=O)O |
Canonical SMILES | CACTVS | 3.370 | CCCCCCCCCCCCCCC(C(O)=O)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.2 | CCCCCCCCCCCCCCC(C(=O)O)C(=O)O |
InChI | InChI | 1.03 | 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) |
InChIKey | InChI | 1.03 | SMTKGALBDOEZCA-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 138268 |