P4C
O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL
Created: | 1999-07-08 |
Last modified: | 2021-03-01 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 50 |
Chiral Atom Count | 0 |
Bond Count | 49 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL |
Synonyms | POLYETHYLENE 400 |
Systematic Name (OpenEye OEToolkits) | 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanal |
Formula | C14 H28 O8 |
Molecular Weight | 324.367 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=CCOCCOCCOCCOCCOCCOCCO |
SMILES | CACTVS | 3.341 | OCCOCCOCCOCCOCCOCCOCC=O |
SMILES | OpenEye OEToolkits | 1.5.0 | C(COCCOCCOCCOCCOCCOCC=O)O |
Canonical SMILES | CACTVS | 3.341 | OCCOCCOCCOCCOCCOCCOCC=O |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | C(COCCOCCOCCOCCOCCOCC=O)O |
InChI | InChI | 1.03 | InChI=1S/C14H28O8/c15-1-3-17-5-7-19-9-11-21-13-14-22-12-10-20-8-6-18-4-2-16/h1,16H,2-14H2 |
InChIKey | InChI | 1.03 | CTLLATPOKUEFSQ-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 449607 |
ChEBI | CHEBI:44758 |