A1LXF
Summary
| Name: | 2-[[(9R)-2-fluoranyl-7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-9-yl]methyl]prop-2-enoic acid |
| Formula: | C11 H11 B F O5 |
| Formal charge: | -1 |
| Formula weight: | 253.011 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[[(9~{R})-2-fluoranyl-7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-9-yl]methyl]prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H11BFO5/c1-6(11(14)15)5-9-10-7(12(16,17)18-9)3-2-4-8(10)13/h2-4,9,16-17H,1,5H2,(H,14,15)/q-1/t9-/m1/s1 |
| InChIKey | InChI | 1.06 | CCVJYJDJQZZSRS-SECBINFHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C(=C)C[C@H]1O[B-](O)(O)c2cccc(F)c12 |
| SMILES | CACTVS | 3.385 | OC(=O)C(=C)C[CH]1O[B-](O)(O)c2cccc(F)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [B-]1(c2cccc(c2[C@H](O1)CC(=C)C(=O)O)F)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | [B-]1(c2cccc(c2C(O1)CC(=C)C(=O)O)F)(O)O |
