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| Duplicate ID | |
|---|---|
| Molecule Name | octyl 4-[5-(4-nitrophenoxy)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]benzoate |
| Smiles | CCCCCCCCOC(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)Oc1ccc(cc1)[N+](=O)[O-] |
| Cas Number | |
| InchiKey | UKSHIOFZRHKWLZ-UHFFFAOYSA-N |
| InChi | InChI=1S/C29H28N2O7/c1-2-3-4-5-6-7-18-37-29(34)20-8-10-21(11-9-20)30-27(32)25-17-16-24(19-26(25)28(30)33)38-23-14-12-22(13-15-23)31(35)36/h8-17,19H,2-7,18H2,1H3 |
| Formula | C29H28N2O7 |
| Molecular weight | 516.542 |
| Rings | 4 |
| logP | 7.2932 |
| PSA | 118.73 |
| MR | 147.225 |