7O0
Summary
| Name: | (~{E})-3-[4-oxidanyl-3-[3-(phenylmethyl)phenyl]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-[4-oxidanyl-3-[3-(phenylmethyl)phenyl]phenyl]prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H18O3/c23-21-11-9-17(10-12-22(24)25)15-20(21)19-8-4-7-18(14-19)13-16-5-2-1-3-6-16/h1-12,14-15,23H,13H2,(H,24,25)/b12-10+ |
| InChIKey | InChI | 1.03 | WOWLBKWVURQFNH-ZRDIBKRKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)/C=C/c1ccc(O)c(c1)c2cccc(Cc3ccccc3)c2 |
| SMILES | CACTVS | 3.385 | OC(=O)C=Cc1ccc(O)c(c1)c2cccc(Cc3ccccc3)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)Cc2cccc(c2)c3cc(ccc3O)/C=C/C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)Cc2cccc(c2)c3cc(ccc3O)C=CC(=O)O |
