ZVH
Summary
| Name: | (1S,2R)-2-(thiophen-3-yl)cyclopentane-1-carboxylic acid |
| Formula: | C10 H12 O2 S |
| Formal charge: | 0 |
| Formula weight: | 196.266 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S,2R)-2-(thiophen-3-yl)cyclopentane-1-carboxylic acid |
| OpenEye OEToolkits | 2.0.7 | (1~{S},2~{R})-2-thiophen-3-ylcyclopentane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1CCCC1c1ccsc1 |
| InChI | InChI | 1.06 | InChI=1S/C10H12O2S/c11-10(12)9-3-1-2-8(9)7-4-5-13-6-7/h4-6,8-9H,1-3H2,(H,11,12)/t8-,9-/m0/s1 |
| InChIKey | InChI | 1.06 | GTNCFHPRVUWUBC-IUCAKERBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H]1CCC[C@H]1c2cscc2 |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1CCC[CH]1c2cscc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cscc1[C@@H]2CCC[C@@H]2C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cscc1C2CCCC2C(=O)O |
