TRC
Summary
| Name: | TRICARBALLYLIC ACID |
| Formula: | C6 H8 O6 |
| Formal charge: | 0 |
| Formula weight: | 176.124 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | propane-1,2,3-tricarboxylic acid |
| OpenEye OEToolkits | 1.5.0 | propane-1,2,3-tricarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CC(C(=O)O)CC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CC(CC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | OC(=O)CC(CC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(C(CC(=O)O)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C(CC(=O)O)C(=O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
| InChIKey | InChI | 1.03 | KQTIIICEAUMSDG-UHFFFAOYSA-N |
