87O

phosphono hexadecanoate

Created:2017-05-02
Last modified:  2017-12-06

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Chemical Details

Formal Charge0
Atom Count55
Chiral Atom Count0
Bond Count54
Aromatic Bond Count0
2D diagram of 87O

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Chemical Component Summary

Namephosphono hexadecanoate
Systematic Name (OpenEye OEToolkits)phosphono hexadecanoate
FormulaC16 H33 O5 P
Molecular Weight336.404
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CCCCCCCCCCCCCCCC(=O)O[P](O)(O)=O
SMILESOpenEye OEToolkits2.0.6CCCCCCCCCCCCCCCC(=O)OP(=O)(O)O
Canonical SMILESCACTVS3.385 CCCCCCCCCCCCCCCC(=O)O[P](O)(O)=O
Canonical SMILESOpenEye OEToolkits2.0.6 CCCCCCCCCCCCCCCC(=O)OP(=O)(O)O
InChIInChI1.03 InChI=1S/C16H33O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)21-22(18,19)20/h2-15H2,1H3,(H2,18,19,20)
InChIKeyInChI1.03 KUIJPSLAGAQZTC-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 14647151
ChEBI CHEBI:139108