| NACRES | NA.22 |
|---|---|
| PubChem Substance ID | 24877850 |
| UNSPSC Code | 12352101 |
| MDL number | MFCD02684547 |
| InChI | 1S/C36H54N2O2.Al.ClH/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12;;/h17-22,29-30,39-40H,13-16H2,1-12H3;;1H/q;+3;/p-3/b37-21+,38-22+;;/t29-,30-;;/m1../s1 |
| SMILES string | CC(C)(C)c1cc2\C=N\[C@@H]3CCCC[C@H]3\N=C\c4cc(cc(c4O[Al](Cl)Oc2c(c1)C(C)(C)C)C(C)(C)C)C(C)(C)C |
| InChI key | KGVBCKDZFMLRMA-OHRASPNLSA-K |
| mp | 250-255 °C (lit.) |
| Quality Level | 100 |
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