Obsolete: LL8
Summary
| Name: | 1-(6-methoxynaphthalen-2-yl)butane-1,3-dione |
| Formula: | C15 H14 O3 |
| Formal charge: | 0 |
| Formula weight: | 242.27 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(6-methoxynaphthalen-2-yl)butane-1,3-dione |
| OpenEye OEToolkits | 1.7.6 | 1-(6-methoxynaphthalen-2-yl)butane-1,3-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C)CC(=O)c1ccc2c(c1)ccc(OC)c2 |
| InChI | InChI | 1.03 | InChI=1S/C15H14O3/c1-10(16)7-15(17)13-4-3-12-9-14(18-2)6-5-11(12)8-13/h3-6,8-9H,7H2,1-2H3 |
| InChIKey | InChI | 1.03 | HGXDFGVHMYOSDC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc2cc(ccc2c1)C(=O)CC(C)=O |
| SMILES | CACTVS | 3.370 | COc1ccc2cc(ccc2c1)C(=O)CC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)CC(=O)c1ccc2cc(ccc2c1)OC |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)CC(=O)c1ccc2cc(ccc2c1)OC |
