UR0
Summary
| Name: | 1,7-bis(4-hydroxyphenyl)hepta-1,6-dien-3-one |
| Formula: | C19 H18 O3 |
| Formal charge: | 0 |
| Formula weight: | 294.344 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{E},6~{E})-1,7-bis(4-hydroxyphenyl)hepta-1,6-dien-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H18O3/c20-17(10-7-16-8-13-19(22)14-9-16)4-2-1-3-15-5-11-18(21)12-6-15/h1,3,5-14,21-22H,2,4H2/b3-1+,10-7+ |
| InChIKey | InChI | 1.06 | DWQICWYCQTTXLU-JKYUJIBQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(/C=C/CCC(=O)\C=C\c2ccc(O)cc2)cc1 |
| SMILES | CACTVS | 3.385 | Oc1ccc(C=CCCC(=O)C=Cc2ccc(O)cc2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1/C=C/CCC(=O)/C=C/c2ccc(cc2)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C=CCCC(=O)C=Cc2ccc(cc2)O)O |
