HWK
Summary
| Name: | 2-[2-(1,3-benzodioxol-2-yl)ethyl]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 | 2-[2-(1,3-benzodioxol-2-yl)ethyl]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H14O4/c17-16(18)12-6-2-1-5-11(12)9-10-15-19-13-7-3-4-8-14(13)20-15/h1-8,15H,9-10H2,(H,17,18) |
| InChIKey | InChI | 1.03 | FPSRKTHSSUQHQJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccccc1CCC2Oc3ccccc3O2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccccc1CCC2Oc3ccccc3O2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)CCC2Oc3ccccc3O2)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)CCC2Oc3ccccc3O2)C(=O)O |
