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| Duplicate ID | |
|---|---|
| Smiles | CCCCCCCCCCCCCCCCSc1ccc(cc1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] |
| Cas Number | |
| InchiKey | LUCDJSKNDSDTKH-UHFFFAOYSA-N |
| InChi | InChI=1S/C28H42N2O4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-35-26-22-20-25(21-23-26)29-36(33,34)28-19-16-15-18-27(28)30(31)32/h15-16,18-23,29H,2-14,17,24H2,1H3 |
| Formula | C28H42N2O4S2 |
| Molecular weight | 534.774 |
| Rings | 2 |
| logP | 10.646 |
| PSA | 125.67 |
| MR | 156.204 |