9J6
Summary
Name: | 6-ethoxy-6-oxohexanoic acid |
Synonyms: | Adipic acid monoethyl ester |
Formula: | C8 H14 O4 |
Formal charge: | 0 |
Formula weight: | 174.194 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 6-ethoxy-6-oxohexanoic acid |
OpenEye OEToolkits | 2.0.6 | 6-ethoxy-6-oxidanylidene-hexanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)CCCCC(=O)OCC |
InChI | InChI | 1.03 | InChI=1S/C8H14O4/c1-2-12-8(11)6-4-3-5-7(9)10/h2-6H2,1H3,(H,9,10) |
InChIKey | InChI | 1.03 | UZNLHJCCGYKCIL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)CCCCC(O)=O |
SMILES | CACTVS | 3.385 | CCOC(=O)CCCCC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCOC(=O)CCCCC(=O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CCOC(=O)CCCCC(=O)O |