- Substance Detail CAS Registry Number 104992-55-4 Key Physical Properties Value Condition Molecular Weight 988.19 - pKa (Predicted) 7.87±0.43 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES N#CCCOP(OC1C(OC(N2C= NC=3C(= NC= NC32) NC (= O) c = 4c = cc = cc4) c1o [si] (c) (c) cc (c) (c (c6) c = c (c) c = c C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](O[Si](C(C)(C)C)(C)C)[C@@H](O1)N2C=3C(N=C2)=C(NC(=O)C4=CC=CC=C4) N=...
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