A1EQA
Summary
| Name: | (2~{R},3~{R})-2-[(3-hydroxyphenyl)methyl]-3-phenyl-cyclopropane-1,1-dicarboxylic acid |
| Formula: | C18 H16 O5 |
| Formal charge: | 0 |
| Formula weight: | 312.317 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R},3~{R})-2-[(3-hydroxyphenyl)methyl]-3-phenyl-cyclopropane-1,1-dicarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H16O5/c19-13-8-4-5-11(9-13)10-14-15(12-6-2-1-3-7-12)18(14,16(20)21)17(22)23/h1-9,14-15,19H,10H2,(H,20,21)(H,22,23)/t14-,15+/m1/s1 |
| InChIKey | InChI | 1.06 | PIPIBDYBFSTNIZ-CABCVRRESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cccc(C[C@@H]2[C@H](c3ccccc3)C2(C(O)=O)C(O)=O)c1 |
| SMILES | CACTVS | 3.385 | Oc1cccc(C[CH]2[CH](c3ccccc3)C2(C(O)=O)C(O)=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)[C@H]2[C@H](C2(C(=O)O)C(=O)O)Cc3cccc(c3)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C2C(C2(C(=O)O)C(=O)O)Cc3cccc(c3)O |
