A1BH4
Summary
| Name: | (5M)-5-(2-ethyl-6-methylphenyl)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 | 14.52 | (5M)-5-(2-ethyl-6-methylphenyl)thiophene-2-carboxylic acid |
| OpenEye OEToolkits | 3.1.0.0 | 5-(2-ethyl-6-methyl-phenyl)thiophene-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OC(=O)c1ccc(s1)c1c(CC)cccc1C |
| InChI | InChI | 1.06 | InChI=1S/C14H14O2S/c1-3-10-6-4-5-9(2)13(10)11-7-8-12(17-11)14(15)16/h4-8H,3H2,1-2H3,(H,15,16) |
| InChIKey | InChI | 1.06 | UXHSLOJLIJQRFP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1cccc(C)c1c2sc(cc2)C(O)=O |
| SMILES | CACTVS | 3.385 | CCc1cccc(C)c1c2sc(cc2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCc1cccc(c1c2ccc(s2)C(=O)O)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCc1cccc(c1c2ccc(s2)C(=O)O)C |
