L14
Summary
| Name: | trans-cyclohexane-1,4-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 | trans-cyclohexane-1,4-dicarboxylic acid |
| OpenEye OEToolkits | 1.7.0 | cyclohexane-1,4-dicarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1CCC(C(=O)O)CC1 |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)[C@@H]1CC[C@H](CC1)C(O)=O |
| SMILES | CACTVS | 3.370 | OC(=O)[CH]1CC[CH](CC1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C1CC(CCC1C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C1CC(CCC1C(=O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H12O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6- |
| InChIKey | InChI | 1.03 | PXGZQGDTEZPERC-IZLXSQMJSA-N |
