I5W
Summary
| Name: | (~{E})-3-[3-(2-methyl-5-phenyl-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid |
| Formula: | C22 H18 O3 |
| Formal charge: | 0 |
| Formula weight: | 330.377 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (~{E})-3-[3-(2-methyl-5-phenyl-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H18O3/c1-15-7-10-18(17-5-3-2-4-6-17)14-19(15)20-13-16(8-11-21(20)23)9-12-22(24)25/h2-14,23H,1H3,(H,24,25)/b12-9+ |
| InChIKey | InChI | 1.03 | ZVBMBUNLXBSQPU-FMIVXFBMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1c2cc(\C=C\C(O)=O)ccc2O)c3ccccc3 |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1c2cc(C=CC(O)=O)ccc2O)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1c2cc(ccc2O)/C=C/C(=O)O)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1c2cc(ccc2O)C=CC(=O)O)c3ccccc3 |
