OP3
Summary
| Name: | 7-methoxy-7-oxidanylidene-heptanoic acid |
| Formula: | C8 H14 O4 |
| Formal charge: | 0 |
| Formula weight: | 174.194 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 7-methoxy-7-oxidanylidene-heptanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H14O4/c1-12-8(11)6-4-2-3-5-7(9)10/h2-6H2,1H3,(H,9,10) |
| InChIKey | InChI | 1.06 | YOLQOHRXBGFZED-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)CCCCCC(O)=O |
| SMILES | CACTVS | 3.385 | COC(=O)CCCCCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)CCCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)CCCCCC(=O)O |
