D5U
Summary
| Name: | 2-[3-(2-methoxyphenyl)-3-oxidanylidene-propyl]benzoic acid |
| Formula: | C17 H16 O4 |
| Formal charge: | 0 |
| Formula weight: | 284.307 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[3-(2-methoxyphenyl)-3-oxidanylidene-propyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H16O4/c1-21-16-9-5-4-8-14(16)15(18)11-10-12-6-2-3-7-13(12)17(19)20/h2-9H,10-11H2,1H3,(H,19,20) |
| InChIKey | InChI | 1.03 | BGYZYPMQNIMFRN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1C(=O)CCc2ccccc2C(O)=O |
| SMILES | CACTVS | 3.385 | COc1ccccc1C(=O)CCc2ccccc2C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccccc1C(=O)CCc2ccccc2C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccccc1C(=O)CCc2ccccc2C(=O)O |
