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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] (OP (N (C (C) C) C (C) C) OCCC#N) [C @@ H] (OCCOC) [C @@ H] (O1) N2C (= O) NC (= O) C (C) = C2) (C3 = CC = C (OC) C = C3) (C4 = CCS = C (OC) C = C4) C5 = CC = CC = C5 Inchi inchi = ... -
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Substance Detail CAS Registry Number 136834-22-5 Key Physical Properties Value Condition Molecular Weight 875.92 - pKa (Predicted) 7.87±0.43 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES N#CCCOP(OC1C(F)C(OC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4)N5C= NC=6C(= NC= NC65)NC(=O)C=7C=CC=CC7) 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](F)[C@@H](O1)N2C=3C(N=C2)=C(NC(=O)C4=CC=CC=C4)N=CN3)(C5=CC=C (OC) C = C5) (C6 = CC = C (OC) C = C ...
