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- Substance Detail CAS Registry Number 163878-63-5 H302 Key Physical Properties Value Condition Molecular Weight 818.89 - pKa (Predicted) 9.55±0.10 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES N#CCCOP(OC1C(OC(N2C=C(C(=O)NC2=O)C)C1OCCOC)COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5)N(C(C)C)C(C)C Isomeric SMILES c (OC [C @ h] 1 [C @ h) =C(OC)C=C4)C5=CC=CC=C5 InChI InChI= ...
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