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

Formal Charge0
Atom Count29
Chiral Atom Count0
Bond Count28
Aromatic Bond Count0
2D diagram of RZO

Chemical Component Summary

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
FormulaC6 H12 Cl2 O7 P2
Molecular Weight329.009
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CC(CO)=CCO[P](O)(=O)C(Cl)(Cl)[P](O)(O)=O
SMILESOpenEye OEToolkits2.0.7CC(=CCOP(=O)(C(P(=O)(O)O)(Cl)Cl)O)CO
Canonical SMILESCACTVS3.385 CC(/CO)=C\CO[P](O)(=O)C(Cl)(Cl)[P](O)(O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 C/C(=C\COP(=O)(C(P(=O)(O)O)(Cl)Cl)O)/CO
InChIInChI1.06 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+
InChIKeyInChI1.06 ANMIMWNFRRKSMF-GORDUTHDSA-N

Related Resource References

Resource NameReference
PubChem 168477824