-
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] c) c (c (c (c) c) occc # n) [c @@) (= c2) (c3 = cc = c (oc = c (oc) c = c = c = c = c = c (c4 = cc =C(OC)C=C4)C5=CC=CC=C5 InChI InChI= 1S/... -
-
-
Substance Detail CAS Registry Number 110782-31-5 H335, H331, H319, H315, H311, H301+H311+H331, H301 Key Physical Properties Value Condition Molecular Weight 887.96 - 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)C1OC)COC(C=5C=CC=CC5)(C6=CC=C(OC)C=C6)C7=CC=C(OC)C=C7 )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] (o1) n2c = 3c (n = c2) = c (nc (= ...
