dinoseb (Q4723): Difference between revisions

@@ Property / SMILES (without stereochemistry) @@
-CCC(C)C1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-]
-Normal rank
@@ Property / chemical formula @@
-C₁₀H₁₂N₂O₅
@@ Property / chemical formula: C₁₀H₁₂N₂O₅ / rank @@
-Normal rank
@@ Property / chemical formula: C₁₀H₁₂N₂O₅ / reference @@
-based on heuristic: inferred from SMILES
@@ Property / mass @@
-.2131Amount 240.2131
Unit 1
-Amount
+.2131
 Unit
@@ Property / mass: 240.2131 / rank @@
-Normal rank
@@ Property / mass: 240.2131 / reference @@
-based on heuristic: inferred from SMILES
@@ Property / InChI @@
-InChI=1S/C10H12N2O5/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17/h4-6,13H,3H2,1-2H3
-Normal rank
-based on heuristic: inferred from SMILES
@@ Property / InChIKey @@
-OWZPCEFYPSAJFR-UHFFFAOYSA-N
@@ Property / InChIKey: OWZPCEFYPSAJFR-UHFFFAOYSA-N / rank @@
-Normal rank
@@ Property / InChIKey: OWZPCEFYPSAJFR-UHFFFAOYSA-N / reference @@
-based on heuristic: inferred from SMILES
@@ Property / PubChem CID @@
@@ Property / PubChem CID: 6950 / rank @@
-Normal rank
@@ Property / PubChem CID: 6950 / reference @@
-based on heuristic: inferred from InChIKey
@@ Property / has part @@
+(S)-dinoseb
@@ Property / has part: (S)-dinoseb / rank @@
+Normal rank
@@ Property / has part: (S)-dinoseb / qualifier @@
+ratio: 50 percentAmount 50 percent
Unit percent
-Amount
+percent
-Unit
+percent
@@ Property / has part @@
+(R)-dinoseb
@@ Property / has part: (R)-dinoseb / rank @@
+Normal rank
@@ Property / has part: (R)-dinoseb / qualifier @@
+ratio: 50 percentAmount 50 percent
Unit percent
-Amount
+percent
-Unit
+percent
@@ Property / part of @@
+VHP4Safety compounds
@@ Property / part of: VHP4Safety compounds / rank @@
+Normal rank