G8O

2,4-dimethoxy-5-thiophen-2-yl-benzoic acid

Created: 2020-08-06
Last modified:  2020-08-19

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Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count0
Bond Count31
Aromatic Bond Count11
2D diagram of G8O

Chemical Component Summary

Name2,4-dimethoxy-5-thiophen-2-yl-benzoic acid
Systematic Name (OpenEye OEToolkits)2,4-dimethoxy-5-thiophen-2-yl-benzoic acid
FormulaC13 H12 O4 S
Molecular Weight264.297
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385COc1cc(OC)c(cc1C(O)=O)c2sccc2
SMILESOpenEye OEToolkits2.0.7COc1cc(c(cc1c2cccs2)C(=O)O)OC
Canonical SMILESCACTVS3.385 COc1cc(OC)c(cc1C(O)=O)c2sccc2
Canonical SMILESOpenEye OEToolkits2.0.7 COc1cc(c(cc1c2cccs2)C(=O)O)OC
InChIInChI1.03 InChI=1S/C13H12O4S/c1-16-10-7-11(17-2)9(13(14)15)6-8(10)12-4-3-5-18-12/h3-7H,1-2H3,(H,14,15)
InChIKeyInChI1.03 VAKYPMHQCMQOCN-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 154573799