P7W
Summary
| Name: | pentane-1,3,5-tricarboxylic acid |
| Formula: | C8 H12 O6 |
| Formal charge: | 0 |
| Formula weight: | 204.177 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 3.1.0.0 | pentane-1,3,5-tricarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H12O6/c9-6(10)3-1-5(8(13)14)2-4-7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)(H,13,14) |
| InChIKey | InChI | 1.06 | ROTJZTYLACIJIG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCC(CCC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)CCC(CCC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C(CC(=O)O)C(CCC(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C(CC(=O)O)C(CCC(=O)O)C(=O)O |
