A1EQC
Summary
| Name: | (2~{R},3~{R})-2-(cyclohexylmethyl)-3-phenyl-cyclopropane-1,1-dicarboxylic acid |
| Formula: | C18 H22 O4 |
| Formal charge: | 0 |
| Formula weight: | 302.365 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R})-2-(cyclohexylmethyl)-3-phenyl-cyclopropane-1,1-dicarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H22O4/c19-16(20)18(17(21)22)14(11-12-7-3-1-4-8-12)15(18)13-9-5-2-6-10-13/h2,5-6,9-10,12,14-15H,1,3-4,7-8,11H2,(H,19,20)(H,21,22)/t14-,15+/m1/s1 |
| InChIKey | InChI | 1.06 | COKJADPTZBCYPZ-CABCVRRESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1([C@H](CC2CCCCC2)[C@@H]1c3ccccc3)C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)C1([CH](CC2CCCCC2)[CH]1c3ccccc3)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)[C@H]2[C@H](C2(C(=O)O)C(=O)O)CC3CCCCC3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2C(C2(C(=O)O)C(=O)O)CC3CCCCC3 |
