5B9
Summary
| Name: | 2-(naphthalen-1-ylmethoxy)benzoic acid |
| Formula: | C18 H14 O3 |
| Formal charge: | 0 |
| Formula weight: | 278.302 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(naphthalen-1-ylmethoxy)benzoic acid |
| OpenEye OEToolkits | 1.9.2 | 2-(naphthalen-1-ylmethoxy)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c21ccccc1cccc2COc3ccccc3C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C18H14O3/c19-18(20)16-10-3-4-11-17(16)21-12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11H,12H2,(H,19,20) |
| InChIKey | InChI | 1.03 | MDMYMMOPBHNQFV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccccc1OCc2cccc3ccccc23 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccccc1OCc2cccc3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)cccc2COc3ccccc3C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)cccc2COc3ccccc3C(=O)O |
