2PE
NONAETHYLENE GLYCOL
Created: | 1999-07-09 |
Last modified: | 2011-06-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 66 |
Chiral Atom Count | 0 |
Bond Count | 65 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | NONAETHYLENE GLYCOL |
Systematic Name (OpenEye OEToolkits) | 2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol |
Formula | C18 H38 O10 |
Molecular Weight | 414.488 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO |
SMILES | CACTVS | 3.341 | OCCOCCOCCOCCOCCOCCOCCOCCOCCO |
SMILES | OpenEye OEToolkits | 1.5.0 | C(COCCOCCOCCOCCOCCOCCOCCOCCO)O |
Canonical SMILES | CACTVS | 3.341 | OCCOCCOCCOCCOCCOCCOCCOCCOCCO |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C(COCCOCCOCCOCCOCCOCCOCCOCCO)O |
InChI | InChI | 1.03 | InChI=1S/C18H38O10/c19-1-3-21-5-7-23-9-11-25-13-15-27-17-18-28-16-14-26-12-10-24-8-6-22-4-2-20/h19-20H,1-18H2 |
InChIKey | InChI | 1.03 | YZUUTMGDONTGTN-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 4867 |
ChEBI | CHEBI:39784 |