HCT
Summary
| Name: | (2R)-butane-1,2,4-tricarboxylic acid |
| Formula: | C7 H10 O6 |
| Formal charge: | 0 |
| Formula weight: | 190.151 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R)-butane-1,2,4-tricarboxylic acid |
| OpenEye OEToolkits | 1.5.0 | (2R)-butane-1,2,4-tricarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCC(C(=O)O)CC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CC[C@H](CC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | OC(=O)CC[CH](CC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CC(=O)O)[C@H](CC(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CC(=O)O)C(CC(=O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H10O6/c8-5(9)2-1-4(7(12)13)3-6(10)11/h4H,1-3H2,(H,8,9)(H,10,11)(H,12,13)/t4-/m1/s1 |
| InChIKey | InChI | 1.03 | LOGBRYZYTBQBTB-SCSAIBSYSA-N |
