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 |