Vat Orange 11
5,27-diazaundecacyclo[23.19.0.03,23.04,20.06,19.07,16.09,14.026,42.028,41.029,38.031,36]tetratetraconta-1(25),3(23),4(20),6(19),7(16),9,11,13,17,21,26(42),28(41),29(38),31,33,35,39,43-octadecaene-2,8,15,24,30,37-hexone
| Molecular Formula | C42H18N2O6 |
|---|---|
| Molecular Weight | 646.6 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 134.0 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 646.1165 |
| Heavy Atoms | 50 |
| Complexity | 1460.0 |
Chemical Identifiers
| CAS Number | 2172-33-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)C5=C(N4)C6=C(C=C5)C(=O)C7=C(C6=O)C=CC8=C7NC9=C8C=CC1=C9C(=O)C2=CC=CC=C2C1=O |
| InChIKey | CVWSULASWLZVCH-UHFFFAOYSA-N |
📖 Product Overview
Vat Orange 11 (CAS: 2172-33-0) is a chemical compound with molecular formula C42H18N2O6 and molecular weight 646.6 g/mol. Its IUPAC systematic name is 5,27-diazaundecacyclo[23.19.0.03,23.04,20.06,19.07,16.09,14.026,42.028,41.029,38.031,36]tetratetraconta-1(25),3(23),4(20),6(19),7(16),9,11,13,17,21,26(42),28(41),29(38),31,33,35,39,43-octadecaene-2,8,15,24,30,37-hexone.
CVWSULASWLZVCH-UHFFFAOYSA-N.
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)C5=C(N4)C6=C(C=C5)C(=O)C7=C(C6=O)C=CC8=C7NC9=C8C=CC1=C9C(=O)C2=CC=CC=C2C1=O.
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