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Substance Detail CAS Registry Number 251647-55-9 H302 Key Physical Properties Value Condition Molecular Weight 914.00 - pKa (Predicted) 9.16±0.20 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES N#CCCOP(OC1C(OC(N2C= NC=3C(=O)N=C(NC(=O)C(C)C)NC32)C1OCCOC)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6) 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)N2C3=C(N=C2)C(=O)N=C(NC(C(C)C)=O)N3)(C4=CC=C (OC) C = C4) (C5 = CC = C (o ... -
Substance Detail CAS Registry Number 251647-53-7 H302 Key Physical Properties Value Condition Molecular Weight 932.01 - 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) c1occoc) coc (c = 5c = cc = cc5) (c6 = cc = c (oC) c = c6) c7 = cc = c (cc) c) c (c) c izomerni osmijesi C (oC @ @@ h] 1 [c @@ (c (c) c) c (c) c) occc # n) [c @@ h] (o1) n2c = cc (nc (nc = c4) n = cn3) (c5 = cc = c (c5) c = c5) (c5) c = c5) (c5) c = c5) (c5) c = c5) (c5) c = c5) (c5) c = c5) (c5) c = c5) (c5) c = c5) (c5) c = c5) -
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