2-(4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptade...
URL: https://doi.org/10.14272/ANWLPJOJNNVQHN-UPXLXJCHSA-N.1
Dataset description:
This dataset contains experimental data from a sample...
Chemical Info
| InChI | InChI=1S/C51H31F17N8O2/c1-26-28(70-30-11-3-2-10-29(30)69-26)18-19-37-38(72-32-13-5-4-12-31(32)71-37)20-21-39-40(74-34-15-7-6-14-33(34)73-39)22-23-41-42(76-36-17-9-8-16-35(36)75-41)43-77-25-27(78-43)24-44(52,53)45(54,55)46(56,57)47(58,59)48(60,61)49(62,63)50(64,65)51(66,67)68/h2-23,27,43H,24-25H2,1H3/b19-18+,21-20+,23-22+ |
|---|---|
| SMILES | Cc1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1/C=C/c1nc2ccccc2nc1C1OCC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1 |
| InChI Key | ANWLPJOJNNVQHN-UPXLXJCHSA-N |
| Molecular Formula | C51H31F17N8O2 |
| Exact Mass | 1110.829 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | unknown |
| Metadata last updated | October 6, 2022 |
| Created | unknown |
| Format | HTML |
| License | License Not Specified |
| Created | 2 years ago |
| Id | 579dd435-9b57-41ff-bce6-906cfb65d25d |
| Package id | 10-14272-anwlpjojnnvqhn-upxlxjchsa-n-1 |
| Resource type | HTML |
| State | active |