4TB
Summary
| Name: | 4-(2-THIENYL)BUTYRIC ACID |
| Formula: | C8 H10 O2 S |
| Formal charge: | 0 |
| Formula weight: | 170.229 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-thiophen-2-ylbutanoic acid |
| OpenEye OEToolkits | 1.5.0 | 4-thiophen-2-ylbutanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCCc1sccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CCCc1sccc1 |
| SMILES | CACTVS | 3.341 | OC(=O)CCCc1sccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(sc1)CCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(sc1)CCCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H10O2S/c9-8(10)5-1-3-7-4-2-6-11-7/h2,4,6H,1,3,5H2,(H,9,10) |
| InChIKey | InChI | 1.03 | VYTXLSQVYGNWLV-UHFFFAOYSA-N |
