A1H0L
Summary
| Name: | 2-(1-benzothiophen-3-yl)ethanoic acid |
| Formula: | C10 H8 O2 S |
| Formal charge: | 0 |
| Formula weight: | 192.234 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(1-benzothiophen-3-yl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C10H8O2S/c11-10(12)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6H,5H2,(H,11,12) |
| InChIKey | InChI | 1.06 | VFZQJKXVHYZXMM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)Cc1csc2ccccc12 |
| SMILES | CACTVS | 3.385 | OC(=O)Cc1csc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(cs2)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(cs2)CC(=O)O |
