ZJ7
Summary
| Name: | 5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid |
| Formula: | C14 H14 O2 S |
| Formal charge: | 0 |
| Formula weight: | 246.325 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | 5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)c1ccc(s1)c1c(C)cc(C)cc1C |
| InChI | InChI | 1.03 | InChI=1S/C14H14O2S/c1-8-6-9(2)13(10(3)7-8)11-4-5-12(17-11)14(15)16/h4-7H,1-3H3,(H,15,16) |
| InChIKey | InChI | 1.03 | KRVQNZWUCJAZTJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(C)c(c(C)c1)c2sc(cc2)C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1cc(C)c(c(C)c1)c2sc(cc2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(c(c1)C)c2ccc(s2)C(=O)O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(c(c1)C)c2ccc(s2)C(=O)O)C |
