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Summary
| Name: | (4~{S})-2-oxidanylidene-4-propyl-pentanedioic acid |
| Formula: | C8 H12 O5 |
| Formal charge: | 0 |
| Formula weight: | 188.178 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{S})-2-oxidanylidene-4-propyl-pentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H12O5/c1-2-3-5(7(10)11)4-6(9)8(12)13/h5H,2-4H2,1H3,(H,10,11)(H,12,13)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | UDAAPTAXECGGON-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC[C@@H](CC(=O)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CCC[CH](CC(=O)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC[C@@H](CC(=O)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCC(CC(=O)C(=O)O)C(=O)O |
