L7Z
Summary
| Name: | 2-methyl-2-[(4-methylphenyl)methyl]cyclopentane-1,3-dione |
| Formula: | C14 H16 O2 |
| Formal charge: | 0 |
| Formula weight: | 216.276 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-methyl-2-[(4-methylphenyl)methyl]cyclopentane-1,3-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H16O2/c1-10-3-5-11(6-4-10)9-14(2)12(15)7-8-13(14)16/h3-6H,7-9H2,1-2H3 |
| InChIKey | InChI | 1.06 | XPAGRKMTCCCSPR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(CC2(C)C(=O)CCC2=O)cc1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(CC2(C)C(=O)CCC2=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)CC2(C(=O)CCC2=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)CC2(C(=O)CCC2=O)C |
