Vat Black K
29,33-dinitrononacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6,8,10,14,17(31),18,20(32),22,24,26,28-hexadecaene-12,21-dione
| Molecular Formula | C34H14N2O6 |
|---|---|
| Molecular Weight | 546.5 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 126.0 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 546.0852 |
| Heavy Atoms | 42 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 67446-03-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(C=C4C5=CC(=C6C7=CC=CC=C7C(=O)C8=C6C5=C(C=C8)C9=C4C3=C(C2=O)C=C9)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | PFCKWBBXWHDJRJ-UHFFFAOYSA-N |
📖 Product Overview
Vat Black K (CAS: 67446-03-1) is a chemical compound with molecular formula C34H14N2O6 and molecular weight 546.5 g/mol. Its IUPAC systematic name is 29,33-dinitrononacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(30),2(34),3(16),4(13),5(33),6,8,10,14,17(31),18,20(32),22,24,26,28-hexadecaene-12,21-dione.
PFCKWBBXWHDJRJ-UHFFFAOYSA-N.
SMILES: C1=CC=C2C(=C1)C3=C(C=C4C5=CC(=C6C7=CC=CC=C7C(=O)C8=C6C5=C(C=C8)C9=C4C3=C(C2=O)C=C9)[N+](=O)[O-])[N+](=O)[O-].
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