4FU
Summary
| Name: | (1R,2S)-cyclohexane-1,2-dicarboxylic acid |
| Formula: | C8 H12 O4 |
| Formal charge: | 0 |
| Formula weight: | 172.178 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R,2S)-cyclohexane-1,2-dicarboxylic acid |
| OpenEye OEToolkits | 1.7.6 | (1R,2S)-cyclohexane-1,2-dicarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(=O)(O)C1C(CCCC1)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6+ |
| InChIKey | InChI | 1.03 | QSAWQNUELGIYBC-OLQVQODUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1CCCC[C@@H]1C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1CCCC[CH]1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1CC[C@@H]([C@@H](C1)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1CCC(C(C1)C(=O)O)C(=O)O |
