Vat Green 3
27-hydroxy-16-azaoctacyclo[18.10.2.02,15.05,14.07,12.017,31.021,26.028,32]dotriaconta-1,3,5(14),7,9,11,15,17(31),18,20(32),21,23,25,27,29-pentadecaene-6,13-dione
| Molecular Formula | C31H15NO3 |
|---|---|
| Molecular Weight | 449.5 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 67.3 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 449.1052 |
| Heavy Atoms | 35 |
| Complexity | 902.0 |
Chemical Identifiers
| CAS Number | 3271-76-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C4C(=C2O)C=CC5=C6C=CC7=C(C6=NC(=C54)C=C3)C(=O)C8=CC=CC=C8C7=O |
| InChIKey | JERMRPUPFAXARG-UHFFFAOYSA-N |
📖 Product Overview
Vat Green 3 (CAS: 3271-76-9) is a chemical compound with molecular formula C31H15NO3 and molecular weight 449.5 g/mol. Its IUPAC systematic name is 27-hydroxy-16-azaoctacyclo[18.10.2.02,15.05,14.07,12.017,31.021,26.028,32]dotriaconta-1,3,5(14),7,9,11,15,17(31),18,20(32),21,23,25,27,29-pentadecaene-6,13-dione.
JERMRPUPFAXARG-UHFFFAOYSA-N.
SMILES: C1=CC=C2C(=C1)C3=C4C(=C2O)C=CC5=C6C=CC7=C(C6=NC(=C54)C=C3)C(=O)C8=CC=CC=C8C7=O.
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