79N
(2S)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate
| Created: | 2014-08-28 |
| Last modified: | 2015-09-30 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 59 |
| Chiral Atom Count | 1 |
| Bond Count | 58 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
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| Name | (2S)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate |
| Systematic Name (OpenEye OEToolkits) | [(2S)-2,3-bis(oxidanyl)propyl] (Z)-hexadec-7-enoate |
| Formula | C19 H36 O4 |
| Molecular Weight | 328.487 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OCC(O)CO)CCCCC\C=C/CCCCCCCC |
| SMILES | CACTVS | 3.385 | CCCCCCCCC=CCCCCCC(=O)OC[CH](O)CO |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCCCC=CCCCCCC(=O)OCC(CO)O |
| Canonical SMILES | CACTVS | 3.385 | CCCCCCCC\C=C/CCCCCC(=O)OC[C@@H](O)CO |
| Canonical SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCCC/C=C\CCCCCC(=O)OC[C@H](CO)O |
| InChI | InChI | 1.03 | InChI=1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h9-10,18,20-21H,2-8,11-17H2,1H3/b10-9-/t18-/m0/s1 |
| InChIKey | InChI | 1.03 | OWGMAJRKMYGYBQ-LPADLIQXSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 91885635 |
