EW8
nonadecanoic acid
Created: | 2018-04-27 |
Last modified: | 2018-06-20 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 59 |
Chiral Atom Count | 0 |
Bond Count | 58 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | nonadecanoic acid |
Systematic Name (OpenEye OEToolkits) | nonadecanoic acid |
Formula | C19 H38 O2 |
Molecular Weight | 298.504 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CCCCCCCCCCCCCCCCCCC(O)=O |
SMILES | OpenEye OEToolkits | 2.0.6 | CCCCCCCCCCCCCCCCCCC(=O)O |
Canonical SMILES | CACTVS | 3.385 | CCCCCCCCCCCCCCCCCCC(O)=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | CCCCCCCCCCCCCCCCCCC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3,(H,20,21) |
InChIKey | InChI | 1.03 | ISYWECDDZWTKFF-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 12591 |
ChEMBL | CHEMBL1169674 |
ChEBI | CHEBI:39246 |
CCDC/CSD | CEVWAC01, CEVWAC |