A1BH2
Summary
| Name: | 5-(2,6-diethylphenyl)thiophene-2-carboxylic acid |
| Formula: | C15 H16 O2 S |
| Formal charge: | 0 |
| Formula weight: | 260.351 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 5-(2,6-diethylphenyl)thiophene-2-carboxylic acid |
| OpenEye OEToolkits | 3.1.0.0 | 5-(2,6-diethylphenyl)thiophene-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OC(=O)c1ccc(s1)c1c(CC)cccc1CC |
| InChI | InChI | 1.06 | InChI=1S/C15H16O2S/c1-3-10-6-5-7-11(4-2)14(10)12-8-9-13(18-12)15(16)17/h5-9H,3-4H2,1-2H3,(H,16,17) |
| InChIKey | InChI | 1.06 | OZTRYCWXRAYPCS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1cccc(CC)c1c2sc(cc2)C(O)=O |
| SMILES | CACTVS | 3.385 | CCc1cccc(CC)c1c2sc(cc2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCc1cccc(c1c2ccc(s2)C(=O)O)CC |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CCc1cccc(c1c2ccc(s2)C(=O)O)CC |
