WHN
Summary
| Name: | 4-hydroxy-6-[2-(naphthalen-1-yl)ethyl]-2H-pyran-2-one |
| Formula: | C17 H14 O3 |
| Formal charge: | 0 |
| Formula weight: | 266.291 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-hydroxy-6-[2-(naphthalen-1-yl)ethyl]-2H-pyran-2-one |
| OpenEye OEToolkits | 2.0.7 | 6-(2-naphthalen-1-ylethyl)-4-oxidanyl-pyran-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC=1C=C(CCc2cccc3ccccc32)OC(=O)C=1 |
| InChI | InChI | 1.06 | InChI=1S/C17H14O3/c18-14-10-15(20-17(19)11-14)9-8-13-6-3-5-12-4-1-2-7-16(12)13/h1-7,10-11,18H,8-9H2 |
| InChIKey | InChI | 1.06 | UGHZLTCNBUVNBE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC1=CC(=O)OC(=C1)CCc2cccc3ccccc23 |
| SMILES | CACTVS | 3.385 | OC1=CC(=O)OC(=C1)CCc2cccc3ccccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cccc2CCC3=CC(=CC(=O)O3)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)cccc2CCC3=CC(=CC(=O)O3)O |
