QDC
Summary
Name: | (R)-3-butyl-2-oxopentanedioic acid |
Synonyms: | (3~{R})-3-butyl-2-oxidanylidene-pentanedioic acid |
Formula: | C9 H14 O5 |
Formal charge: | 0 |
Formula weight: | 202.204 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 3.1.0.0 | (3~{R})-3-butyl-2-oxidanylidene-pentanedioic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C9H14O5/c1-2-3-4-6(5-7(10)11)8(12)9(13)14/h6H,2-5H2,1H3,(H,10,11)(H,13,14)/t6-/m1/s1 |
InChIKey | InChI | 1.06 | RVKQLIHFWCFUHE-ZCFIWIBFSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCC[C@H](CC(O)=O)C(=O)C(O)=O |
SMILES | CACTVS | 3.385 | CCCC[CH](CC(O)=O)C(=O)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CCCC[C@H](CC(=O)O)C(=O)C(=O)O |
SMILES | OpenEye OEToolkits | 3.1.0.0 | CCCCC(CC(=O)O)C(=O)C(=O)O |