G2A
2-hydroxy-1-(hydroxymethyl)ethyl icosanoate
Created: | 2012-06-26 |
Last modified: | 2014-09-05 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 73 |
Chiral Atom Count | 0 |
Bond Count | 72 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | 2-hydroxy-1-(hydroxymethyl)ethyl icosanoate |
Systematic Name (OpenEye OEToolkits) | 1,3-bis(oxidanyl)propan-2-yl icosanoate |
Formula | C23 H46 O4 |
Molecular Weight | 386.609 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OC(CO)CO)CCCCCCCCCCCCCCCCCCC |
SMILES | CACTVS | 3.385 | CCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO |
SMILES | OpenEye OEToolkits | 1.9.2 | CCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO |
Canonical SMILES | CACTVS | 3.385 | CCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO |
Canonical SMILES | OpenEye OEToolkits | 1.9.2 | CCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO |
InChI | InChI | 1.03 | InChI=1S/C23H46O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h22,24-25H,2-21H2,1H3 |
InChIKey | InChI | 1.03 | KECCPKLXQUOWMI-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 537294 |