6HM
Summary
| Name: | [([1,1'-biphenyl]-2-yl)methyl]propanedioic 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 | [([1,1'-biphenyl]-2-yl)methyl]propanedioic acid |
| OpenEye OEToolkits | 2.0.4 | 2-[(2-phenylphenyl)methyl]propanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2ccc(c1ccccc1)c(CC(C(O)=O)C(O)=O)c2 |
| InChI | InChI | 1.03 | InChI=1S/C16H14O4/c17-15(18)14(16(19)20)10-12-8-4-5-9-13(12)11-6-2-1-3-7-11/h1-9,14H,10H2,(H,17,18)(H,19,20) |
| InChIKey | InChI | 1.03 | NRIDIKKHBOBNRS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C(Cc1ccccc1c2ccccc2)C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)C(Cc1ccccc1c2ccccc2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)c2ccccc2CC(C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | c1ccc(cc1)c2ccccc2CC(C(=O)O)C(=O)O |
