A1EP8
Summary
| Name: | (2~{R},3~{R})-2-(2-methylpropyl)-3-phenyl-cyclopropane-1,1-dicarboxylic acid |
| Formula: | C15 H18 O4 |
| Formal charge: | 0 |
| Formula weight: | 262.301 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R})-2-(2-methylpropyl)-3-phenyl-cyclopropane-1,1-dicarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H18O4/c1-9(2)8-11-12(10-6-4-3-5-7-10)15(11,13(16)17)14(18)19/h3-7,9,11-12H,8H2,1-2H3,(H,16,17)(H,18,19)/t11-,12+/m1/s1 |
| InChIKey | InChI | 1.06 | HKOSEWDQWLZXQW-NEPJUHHUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)C[C@@H]1[C@H](c2ccccc2)C1(C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)C[CH]1[CH](c2ccccc2)C1(C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)C[C@@H]1[C@@H](C1(C(=O)O)C(=O)O)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)CC1C(C1(C(=O)O)C(=O)O)c2ccccc2 |
