A1I3S
Summary
| Name: | 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid |
| Formula: | C9 H10 O2 S |
| Formal charge: | 0 |
| Formula weight: | 182.239 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H10O2S/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h5H,1-4H2,(H,10,11) |
| InChIKey | InChI | 1.06 | TUZZQEHPGHKGRJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1csc2CCCCc12 |
| SMILES | CACTVS | 3.385 | OC(=O)c1csc2CCCCc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(c2c(s1)CCCC2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(c2c(s1)CCCC2)C(=O)O |
