NF0

butyl 3,4,5-tris(oxidanyl)benzoate

Created:2023-01-13
Last modified:  2023-11-22

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count0
Bond Count30
Aromatic Bond Count6
2D diagram of NF0

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Toggle HydrogenToggle Labels

Chemical Component Summary

Namebutyl 3,4,5-tris(oxidanyl)benzoate
Synonymsbutyl gallate
Systematic Name (OpenEye OEToolkits)butyl 3,4,5-tris(oxidanyl)benzoate
FormulaC11 H14 O5
Molecular Weight226.226
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CCCCOC(=O)c1cc(O)c(O)c(O)c1
SMILESOpenEye OEToolkits2.0.7CCCCOC(=O)c1cc(c(c(c1)O)O)O
Canonical SMILESCACTVS3.385 CCCCOC(=O)c1cc(O)c(O)c(O)c1
Canonical SMILESOpenEye OEToolkits2.0.7 CCCCOC(=O)c1cc(c(c(c1)O)O)O
InChIInChI1.06 InChI=1S/C11H14O5/c1-2-3-4-16-11(15)7-5-8(12)10(14)9(13)6-7/h5-6,12-14H,2-4H2,1H3
InChIKeyInChI1.06 XOPOEBVTQYAOSV-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 14128
ChEMBL CHEMBL494005
CCDC/CSD MODCUD