O9Q
Summary
| Name: | 2-(3-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one |
| Formula: | C16 H12 O4 |
| Formal charge: | 0 |
| Formula weight: | 268.264 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(3-methylphenyl)-5,7-bis(oxidanyl)chromen-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H12O4/c1-9-3-2-4-10(5-9)14-8-13(19)16-12(18)6-11(17)7-15(16)20-14/h2-8,17-18H,1H3 |
| InChIKey | InChI | 1.03 | IGTBSDZAEVYRPZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc(c1)C2=CC(=O)c3c(O)cc(O)cc3O2 |
| SMILES | CACTVS | 3.385 | Cc1cccc(c1)C2=CC(=O)c3c(O)cc(O)cc3O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1)C2=CC(=O)c3c(cc(cc3O2)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1)C2=CC(=O)c3c(cc(cc3O2)O)O |
