A1ITD
Summary
| Name: | (2~{Z})-1-[3,5-dimethyl-2,4-bis(oxidanyl)phenyl]hexa-2,4-dien-1-one |
| Formula: | C14 H16 O3 |
| Formal charge: | 0 |
| Formula weight: | 232.275 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{E})-1-[3,5-dimethyl-2,4-bis(oxidanyl)phenyl]hexa-2,4-dien-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H16O3/c1-4-5-6-7-12(15)11-8-9(2)13(16)10(3)14(11)17/h4-8,16-17H,1-3H3/b5-4?,7-6+ |
| InChIKey | InChI | 1.06 | RKKPUBAAIGFXOG-VFABXPAXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC=C\C=C\C(=O)c1cc(C)c(O)c(C)c1O |
| SMILES | CACTVS | 3.385 | CC=CC=CC(=O)c1cc(C)c(O)c(C)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC=C/C=C/C(=O)c1cc(c(c(c1O)C)O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC=CC=CC(=O)c1cc(c(c(c1O)C)O)C |
