9-(hydroxyimino)-N~2~,N~2~,N~7~,N~7~-tetrakis(3-methylbutyl)-4,5-dinitro-9H-fluorene-2,7-disulfonamide
Chemical Structure Depiction of
9-(hydroxyimino)-N~2~,N~2~,N~7~,N~7~-tetrakis(3-methylbutyl)-4,5-dinitro-9H-fluorene-2,7-disulfonamide
9-(hydroxyimino)-N~2~,N~2~,N~7~,N~7~-tetrakis(3-methylbutyl)-4,5-dinitro-9H-fluorene-2,7-disulfonamide
Compound characteristics
| Compound ID: | 1509-0052 |
| Compound Name: | 9-(hydroxyimino)-N~2~,N~2~,N~7~,N~7~-tetrakis(3-methylbutyl)-4,5-dinitro-9H-fluorene-2,7-disulfonamide |
| Molecular Weight: | 723.91 |
| Molecular Formula: | C33 H49 N5 O9 S2 |
| Smiles: | CC(C)CCN(CCC(C)C)S(c1cc2C(c3cc(cc(c3c2c(c1)[N+]([O-])=O)[N+]([O-])=O)S(N(CCC(C)C)CCC(C)C)(=O)=O)=NO)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 8.2631 |
| logD: | 8.2625 |
| logSw: | -6.1004 |
| Hydrogen bond acceptors count: | 20 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 158.094 |
| InChI Key: | NXWNSNUKCYBKLZ-UHFFFAOYSA-N |