Y1G
Summary
| Name: | (6-bromo-2-phenyl-1-benzofuran-3-yl)acetic acid |
| Formula: | C16 H11 Br O3 |
| Formal charge: | 0 |
| Formula weight: | 331.161 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (6-bromo-2-phenyl-1-benzofuran-3-yl)acetic acid |
| OpenEye OEToolkits | 2.0.7 | 2-(6-bromanyl-2-phenyl-1-benzofuran-3-yl)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(Br)cc2c(c1)c(c(o2)c3ccccc3)CC(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C16H11BrO3/c17-11-6-7-12-13(9-15(18)19)16(20-14(12)8-11)10-4-2-1-3-5-10/h1-8H,9H2,(H,18,19) |
| InChIKey | InChI | 1.03 | GRIUNLJADADECO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)Cc1c(oc2cc(Br)ccc12)c3ccccc3 |
| SMILES | CACTVS | 3.385 | OC(=O)Cc1c(oc2cc(Br)ccc12)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2c(c3ccc(cc3o2)Br)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2c(c3ccc(cc3o2)Br)CC(=O)O |
