OBK
Summary
Name: | 7-ethoxy-7-oxidanylidene-heptanoic acid |
Synonyms: | pimelic acid monoethyl ester |
Formula: | C9 H16 O4 |
Formal charge: | 0 |
Formula weight: | 188.221 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 7-ethoxy-7-oxidanylidene-heptanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C9H16O4/c1-2-13-9(12)7-5-3-4-6-8(10)11/h2-7H2,1H3,(H,10,11) |
InChIKey | InChI | 1.06 | NQYXFXWKKYGBNL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)CCCCCC(O)=O |
SMILES | CACTVS | 3.385 | CCOC(=O)CCCCCC(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)CCCCCC(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)CCCCCC(=O)O |