9J3
Summary
Name: | 4-ethoxy-4-oxobutanoic acid |
Formula: | C6 H10 O4 |
Formal charge: | 0 |
Formula weight: | 146.141 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 4-ethoxy-4-oxobutanoic acid |
OpenEye OEToolkits | 2.0.6 | 4-ethoxy-4-oxidanylidene-butanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OC(=O)CCC(=O)OCC |
InChI | InChI | 1.03 | InChI=1S/C6H10O4/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3,(H,7,8) |
InChIKey | InChI | 1.03 | LOLKAJARZKDJTD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)CCC(O)=O |
SMILES | CACTVS | 3.385 | CCOC(=O)CCC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCOC(=O)CCC(=O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CCOC(=O)CCC(=O)O |