JAA
Summary
| Name: | {(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetic acid |
| Formula: | C12 H18 O3 |
| Formal charge: | 0 |
| Formula weight: | 210.27 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | {(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetic acid |
| OpenEye OEToolkits | 1.9.2 | 2-[(1R,2R)-3-oxidanylidene-2-[(Z)-pent-2-enyl]cyclopentyl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C(C(CC(=O)O)CC1)C\C=C/CC |
| InChI | InChI | 1.03 | InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1 |
| InChIKey | InChI | 1.03 | ZNJFBWYDHIGLCU-HWKXXFMVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC\C=C/C[C@@H]1[C@H](CCC1=O)CC(O)=O |
| SMILES | CACTVS | 3.385 | CCC=CC[CH]1[CH](CCC1=O)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCC=CCC1C(CCC1=O)CC(=O)O |
