8X0
Summary
| Name: | (E)-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxyphenyl)prop-2-en-1-one |
| Formula: | C22 H22 O4 |
| Formal charge: | 0 |
| Formula weight: | 350.408 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (~{E})-1-(5-methoxy-2,2-dimethyl-chromen-8-yl)-3-(4-methoxyphenyl)prop-2-en-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H22O4/c1-22(2)14-13-18-20(25-4)12-10-17(21(18)26-22)19(23)11-7-15-5-8-16(24-3)9-6-15/h5-14H,1-4H3/b11-7+ |
| InChIKey | InChI | 1.03 | GZUOKKIDYHPTAZ-YRNVUSSQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(\C=C\C(=O)c2ccc(OC)c3C=CC(C)(C)Oc23)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(C=CC(=O)c2ccc(OC)c3C=CC(C)(C)Oc23)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC1(C=Cc2c(ccc(c2O1)C(=O)/C=C/c3ccc(cc3)OC)OC)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC1(C=Cc2c(ccc(c2O1)C(=O)C=Cc3ccc(cc3)OC)OC)C |
