T7O
Summary
| Name: | 3-[3-(acetyloxymethyl)phenyl]benzoic acid |
| Formula: | C16 H14 O4 |
| Formal charge: | 0 |
| Formula weight: | 270.28 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-[3-(acetyloxymethyl)phenyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H14O4/c1-11(17)20-10-12-4-2-5-13(8-12)14-6-3-7-15(9-14)16(18)19/h2-9H,10H2,1H3,(H,18,19) |
| InChIKey | InChI | 1.03 | BHNLEDGKZQUQLL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)OCc1cccc(c1)c2cccc(c2)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)OCc1cccc(c1)c2cccc(c2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)OCc1cccc(c1)c2cccc(c2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)OCc1cccc(c1)c2cccc(c2)C(=O)O |
