6Y0
Summary
| Name: | 4-butyl-7,8-bis(oxidanyl)chromen-2-one |
| Formula: | C13 H14 O4 |
| Formal charge: | 0 |
| Formula weight: | 234.248 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 4-butyl-7,8-bis(oxidanyl)chromen-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H14O4/c1-2-3-4-8-7-11(15)17-13-9(8)5-6-10(14)12(13)16/h5-7,14,16H,2-4H2,1H3 |
| InChIKey | InChI | 1.03 | GDGBIWNBPUQGGZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCC1=CC(=O)Oc2c(O)c(O)ccc12 |
| SMILES | CACTVS | 3.385 | CCCCC1=CC(=O)Oc2c(O)c(O)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CCCCC1=CC(=O)Oc2c1ccc(c2O)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | CCCCC1=CC(=O)Oc2c1ccc(c2O)O |
