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Substance Detail CAS Registry Number 199593-09-4 Key Physical Properties Value Condition Molecular Weight 801.87 - pKa (Predicted) 10.18±0.20 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES N#CCCOP(OC1C(OC(N2C=CC(= NC2=O)NC(=O)C)C1OC)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] (op (n (c (c) c) c (c) c) occc#n) [c @@ h] (oc) [c @@ h] (o1) n2c (= o) n = c (nc (c) = o) c = c2) (c3 = cc = c (oc) =C(OC)C=C4)C5=CC=CC=C5 InChI InChI= 1S/... -
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