RZO
[bis(chloranyl)-[[(E)-3-methyl-4-oxidanyl-but-2-enoxy]-oxidanyl-phosphoryl]methyl]phosphonic acid
Created: | 2023-04-07 |
Last modified: | 2023-09-13 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 29 |
Chiral Atom Count | 0 |
Bond Count | 28 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | [bis(chloranyl)-[[(E)-3-methyl-4-oxidanyl-but-2-enoxy]-oxidanyl-phosphoryl]methyl]phosphonic acid |
Systematic Name (OpenEye OEToolkits) | [bis(chloranyl)-[[(~{E})-3-methyl-4-oxidanyl-but-2-enoxy]-oxidanyl-phosphoryl]methyl]phosphonic acid |
Formula | C6 H12 Cl2 O7 P2 |
Molecular Weight | 329.009 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CC(CO)=CCO[P](O)(=O)C(Cl)(Cl)[P](O)(O)=O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(=CCOP(=O)(C(P(=O)(O)O)(Cl)Cl)O)CO |
Canonical SMILES | CACTVS | 3.385 | CC(/CO)=C\CO[P](O)(=O)C(Cl)(Cl)[P](O)(O)=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | C/C(=C\COP(=O)(C(P(=O)(O)O)(Cl)Cl)O)/CO |
InChI | InChI | 1.06 | InChI=1S/C6H12Cl2O7P2/c1-5(4-9)2-3-15-17(13,14)6(7,8)16(10,11)12/h2,9H,3-4H2,1H3,(H,13,14)(H2,10,11,12)/b5-2+ |
InChIKey | InChI | 1.06 | ANMIMWNFRRKSMF-GORDUTHDSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 168477824 |