OVG
Summary
| Name: | (6-butoxy-1-benzofuran-3-yl)acetic acid |
| Formula: | C14 H16 O4 |
| Formal charge: | 0 |
| Formula weight: | 248.274 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (6-butoxy-1-benzofuran-3-yl)acetic acid |
| OpenEye OEToolkits | 2.0.7 | 2-(6-butoxy-1-benzofuran-3-yl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(=O)(O)Cc2coc1c2ccc(c1)OCCCC |
| InChI | InChI | 1.03 | InChI=1S/C14H16O4/c1-2-3-6-17-11-4-5-12-10(7-14(15)16)9-18-13(12)8-11/h4-5,8-9H,2-3,6-7H2,1H3,(H,15,16) |
| InChIKey | InChI | 1.03 | SZOTYOZQWWESFH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCOc1ccc2c(CC(O)=O)coc2c1 |
| SMILES | CACTVS | 3.385 | CCCCOc1ccc2c(CC(O)=O)coc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCOc1ccc2c(c1)occ2CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCOc1ccc2c(c1)occ2CC(=O)O |
