QVZ
Summary
| Name: | 3-((9,9-dimethyl-9H-fluoren-2-yl)methyl)-2-oxoglutarate |
| Synonyms: | (3~{S})-3-[(9,9-dimethylfluoren-2-yl)methyl]-2-oxidanylidene-pentanedioic acid |
| Formula: | C21 H20 O5 |
| Formal charge: | 0 |
| Formula weight: | 352.381 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (3~{S})-3-[(9,9-dimethylfluoren-2-yl)methyl]-2-oxidanylidene-pentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C21H20O5/c1-21(2)16-6-4-3-5-14(16)15-8-7-12(10-17(15)21)9-13(11-18(22)23)19(24)20(25)26/h3-8,10,13H,9,11H2,1-2H3,(H,22,23)(H,25,26)/t13-/m0/s1 |
| InChIKey | InChI | 1.03 | VBQHCGIHMLAMOB-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)c2ccccc2c3ccc(C[C@@H](CC(O)=O)C(=O)C(O)=O)cc13 |
| SMILES | CACTVS | 3.385 | CC1(C)c2ccccc2c3ccc(C[CH](CC(O)=O)C(=O)C(O)=O)cc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(c2ccccc2-c3c1cc(cc3)C[C@@H](CC(=O)O)C(=O)C(=O)O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(c2ccccc2-c3c1cc(cc3)CC(CC(=O)O)C(=O)C(=O)O)C |
