S2B
Summary
| Name: | 3-[(~{E})-2-[7,7-bis(oxidanyl)-9-oxidanylidene-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-3-yl]ethenyl]-7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-9-one |
| Formula: | C16 H12 B2 O8 |
| Formal charge: | -2 |
| Formula weight: | 353.884 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[(~{E})-2-[7,7-bis(oxidanyl)-9-oxidanylidene-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-3-yl]ethenyl]-7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-9-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H12B2O8/c19-15-11-7-9(3-5-13(11)17(21,22)25-15)1-2-10-4-6-14-12(8-10)16(20)26-18(14,23)24/h1-8,21-24H/q-2/b2-1+ |
| InChIKey | InChI | 1.03 | SFTURCQVILCIEC-OWOJBTEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[B-]1(O)OC(=O)c2cc(/C=C/c3ccc4c(c3)C(=O)O[B-]4(O)O)ccc12 |
| SMILES | CACTVS | 3.385 | O[B-]1(O)OC(=O)c2cc(C=Cc3ccc4c(c3)C(=O)O[B-]4(O)O)ccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [B-]1(c2ccc(cc2C(=O)O1)/C=C/c3ccc4c(c3)C(=O)O[B-]4(O)O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | [B-]1(c2ccc(cc2C(=O)O1)C=Cc3ccc4c(c3)C(=O)O[B-]4(O)O)(O)O |
