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 | |
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Formal Charge | 0 |
Atom Count | 30 |
Chiral Atom Count | 0 |
Bond Count | 31 |
Aromatic Bond Count | 11 |
Chemical Component Summary | |
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Name | 2,4-dimethoxy-5-thiophen-2-yl-benzoic acid |
Systematic Name (OpenEye OEToolkits) | 2,4-dimethoxy-5-thiophen-2-yl-benzoic acid |
Formula | C13 H12 O4 S |
Molecular Weight | 264.297 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | COc1cc(OC)c(cc1C(O)=O)c2sccc2 |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(c(cc1c2cccs2)C(=O)O)OC |
Canonical SMILES | CACTVS | 3.385 | COc1cc(OC)c(cc1C(O)=O)c2sccc2 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(c(cc1c2cccs2)C(=O)O)OC |
InChI | InChI | 1.03 | 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) |
InChIKey | InChI | 1.03 | VAKYPMHQCMQOCN-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 154573799 |