LNW
Summary
| Name: | 2,2'-biphenyl-3,5-diyldiacetic acid |
| Formula: | C16 H14 O4 |
| Formal charge: | 0 |
| Formula weight: | 270.28 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,2'-biphenyl-3,5-diyldiacetic acid |
| OpenEye OEToolkits | 2.0.4 | 2-[3-(2-hydroxy-2-oxoethyl)-5-phenyl-phenyl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C(O)=O)c1cc(CC(=O)O)cc(c1)c2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C16H14O4/c17-15(18)9-11-6-12(10-16(19)20)8-14(7-11)13-4-2-1-3-5-13/h1-8H,9-10H2,(H,17,18)(H,19,20) |
| InChIKey | InChI | 1.03 | VAGQJIBPPQRDCK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)Cc1cc(CC(O)=O)cc(c1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | OC(=O)Cc1cc(CC(O)=O)cc(c1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)c2cc(cc(c2)CC(=O)O)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)c2cc(cc(c2)CC(=O)O)CC(=O)O |
