9CG
Summary
| Name: | 1H,3H-naphtho[1,8-cd]pyran-1-one |
| Formula: | C12 H8 O2 |
| Formal charge: | 0 |
| Formula weight: | 184.191 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1H,3H-naphtho[1,8-cd]pyran-1-one |
| OpenEye OEToolkits | 2.0.6 | 3-oxatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaen-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1ccc3C(=O)OCc2c3c1ccc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H8O2/c13-12-10-6-2-4-8-3-1-5-9(7-14-12)11(8)10/h1-6H,7H2 |
| InChIKey | InChI | 1.03 | UKOVZLWSUZKTRL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1OCc2cccc3cccc1c23 |
| SMILES | CACTVS | 3.385 | O=C1OCc2cccc3cccc1c23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2cccc3c2c(c1)COC3=O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2cccc3c2c(c1)COC3=O |
