OVS
Summary
| Name: | (6-phenoxy-1-benzofuran-3-yl)acetic acid |
| Formula: | C16 H12 O4 |
| Formal charge: | 0 |
| Formula weight: | 268.264 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (6-phenoxy-1-benzofuran-3-yl)acetic acid |
| OpenEye OEToolkits | 2.0.7 | 2-(6-phenoxy-1-benzofuran-3-yl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O(c1ccccc1)c2cc3c(cc2)c(CC(O)=O)co3 |
| InChI | InChI | 1.03 | InChI=1S/C16H12O4/c17-16(18)8-11-10-19-15-9-13(6-7-14(11)15)20-12-4-2-1-3-5-12/h1-7,9-10H,8H2,(H,17,18) |
| InChIKey | InChI | 1.03 | SLCAFBFROXEZHX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)Cc1coc2cc(Oc3ccccc3)ccc12 |
| SMILES | CACTVS | 3.385 | OC(=O)Cc1coc2cc(Oc3ccccc3)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Oc2ccc3c(c2)occ3CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Oc2ccc3c(c2)occ3CC(=O)O |
