Isotrac
calcium bis(2-(3-methylbutanoyl)-3-oxoinden-1-olate)
| Molecular Formula | C28H26CaO6 |
|---|---|
| Molecular Weight | 498.6 g/mol |
| Topological Polar Surface Area | 114.0 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 498.13553 |
| Heavy Atoms | 35 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 23710-76-1 |
|---|---|
| SMILES | CC(C)CC(=O)C1=C(C2=CC=CC=C2C1=O)[O-].CC(C)CC(=O)C1=C(C2=CC=CC=C2C1=O)[O-].[Ca+2] |
| InChIKey | QPYPHJWZWLGYRR-UHFFFAOYSA-L |
📖 Product Overview
Isotrac (CAS: 23710-76-1) is a chemical compound with molecular formula C28H26CaO6 and molecular weight 498.6 g/mol. Its IUPAC systematic name is calcium bis(2-(3-methylbutanoyl)-3-oxoinden-1-olate).
QPYPHJWZWLGYRR-UHFFFAOYSA-L.
SMILES: CC(C)CC(=O)C1=C(C2=CC=CC=C2C1=O)[O-].CC(C)CC(=O)C1=C(C2=CC=CC=C2C1=O)[O-].[Ca+2].
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