90A
Summary
| Name: | 2-oxo-6,9,12,15-tetraoxa-3-azaoctadecan-18-oic acid |
| Formula: | C13 H25 N O7 |
| Formal charge: | 0 |
| Formula weight: | 307.34 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-oxo-6,9,12,15-tetraoxa-3-azaoctadecan-18-oic acid |
| OpenEye OEToolkits | 2.0.6 | 3-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(NC(C)=O)COCCOCCOCCOCCC(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C13H25NO7/c1-12(15)14-3-5-19-7-9-21-11-10-20-8-6-18-4-2-13(16)17/h2-11H2,1H3,(H,14,15)(H,16,17) |
| InChIKey | InChI | 1.03 | QYCYVPYJQWWUNK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)NCCOCCOCCOCCOCCC(O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)NCCOCCOCCOCCOCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)NCCOCCOCCOCCOCCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)NCCOCCOCCOCCOCCC(=O)O |
