5ON
Summary
| Name: | (~{E})-3-[3-[[3-(2-hydroxy-2-oxoethyl)phenyl]methoxy]phenyl]prop-2-enoic acid |
| Formula: | C18 H16 O5 |
| Formal charge: | 0 |
| Formula weight: | 312.317 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | (~{E})-3-[3-[[3-(2-hydroxy-2-oxoethyl)phenyl]methoxy]phenyl]prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H16O5/c19-17(20)8-7-13-3-2-6-16(10-13)23-12-15-5-1-4-14(9-15)11-18(21)22/h1-10H,11-12H2,(H,19,20)(H,21,22)/b8-7+ |
| InChIKey | InChI | 1.03 | OEFDOGJCFYDFNL-BQYQJAHWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)Cc1cccc(COc2cccc(/C=C/C(O)=O)c2)c1 |
| SMILES | CACTVS | 3.385 | OC(=O)Cc1cccc(COc2cccc(C=CC(O)=O)c2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1cc(cc(c1)COc2cccc(c2)/C=C/C(=O)O)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1cc(cc(c1)COc2cccc(c2)C=CC(=O)O)CC(=O)O |
