U3Q
Summary
| Name: | 1-Naphthalenepentanoic acid |
| Synonyms: | 5-naphthalen-1-ylpentanoic acid |
| Formula: | C15 H16 O2 |
| Formal charge: | 0 |
| Formula weight: | 228.286 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-naphthalen-1-ylpentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H16O2/c16-15(17)11-4-2-7-13-9-5-8-12-6-1-3-10-14(12)13/h1,3,5-6,8-10H,2,4,7,11H2,(H,16,17) |
| InChIKey | InChI | 1.03 | MBQDHVLINYDJHO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCCCc1cccc2ccccc12 |
| SMILES | CACTVS | 3.385 | OC(=O)CCCCc1cccc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cccc2CCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cccc2CCCCC(=O)O |
