OR6
Summary
| Name: | (2~{S})-2-butyl-3-methylidene-butanedioic acid |
| Formula: | C9 H14 O4 |
| Formal charge: | 0 |
| Formula weight: | 186.205 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-butyl-3-methylidene-butanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H14O4/c1-3-4-5-7(9(12)13)6(2)8(10)11/h7H,2-5H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1 |
| InChIKey | InChI | 1.06 | ULDVOPUXMRCBDH-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC[C@H](C(O)=O)C(=C)C(O)=O |
| SMILES | CACTVS | 3.385 | CCCC[CH](C(O)=O)C(=C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCC[C@@H](C(=C)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCC(C(=C)C(=O)O)C(=O)O |
