XR9
Summary
| Name: | (9S)-7-oxidanyl-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene-9-carbonitrile |
| Formula: | C8 H6 B N O2 |
| Formal charge: | -1 |
| Formula weight: | 158.95 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (9~{S})-7-oxidanyl-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-triene-9-carbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H7BNO2/c10-5-8-6-3-1-2-4-7(6)9(11)12-8/h1-4,8-9,11H/q-1/t8-,9-/m1/s1 |
| InChIKey | InChI | 1.06 | MIKWUCWNKLNUEG-RKDXNWHRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[B-]1O[C@H](C#N)c2ccccc12 |
| SMILES | CACTVS | 3.385 | O[B-]1O[CH](C#N)c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [B-]1(c2ccccc2[C@H](O1)C#N)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | [B-]1(c2ccccc2C(O1)C#N)O |
