OXN
OXTOXYNOL-10
Created: | 2001-05-14 |
Last modified: | 2020-06-05 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 107 |
Chiral Atom Count | 0 |
Bond Count | 107 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | OXTOXYNOL-10 |
Synonyms | ALPHA-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENYL]-OMEGA-HYDROXYPOLY(OXY-1,2-ETHANEDIYL); TRITON X-100 |
Systematic Name (OpenEye OEToolkits) | 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol |
Formula | C34 H62 O11 |
Molecular Weight | 646.849 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCO |
SMILES | CACTVS | 3.341 | CC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1 |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO |
Canonical SMILES | CACTVS | 3.341 | CC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1 |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO |
InChI | InChI | 1.03 | InChI=1S/C34H62O11/c1-33(2,3)30-34(4,5)31-6-8-32(9-7-31)45-29-28-44-27-26-43-25-24-42-23-22-41-21-20-40-19-18-39-17-16-38-15-14-37-13-12-36-11-10-35/h6-9,35H,10-30H2,1-5H3 |
InChIKey | InChI | 1.03 | IVKNZCBNXPYYKL-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 454541 |
ChEMBL | CHEMBL1235043 |