02U
14-methylhexadec-9-enoic acid
Created: | 2011-06-10 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 51 |
Chiral Atom Count | 0 |
Bond Count | 50 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | 14-methylhexadec-9-enoic acid |
Systematic Name (OpenEye OEToolkits) | 14-methylhexadec-9-enoic acid |
Formula | C17 H32 O2 |
Molecular Weight | 268.435 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)CCCCCCC/C=C/CCCC(C)CC |
SMILES | CACTVS | 3.370 | CCC(C)CCCC=CCCCCCCCC(O)=O |
SMILES | OpenEye OEToolkits | 1.7.2 | CCC(C)CCCC=CCCCCCCCC(=O)O |
Canonical SMILES | CACTVS | 3.370 | CCC(C)CCCC=CCCCCCCCC(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.2 | CCC(C)CCCC=CCCCCCCCC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C17H32O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h6,8,16H,3-5,7,9-15H2,1-2H3,(H,18,19) |
InChIKey | InChI | 1.03 | JSOOUDKFWVPPEF-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 137347830 |