EINECS 287-285-7
4-[[4-hydroxy-9,10-dioxo-3-(4-sulfoanilino)anthracen-1-yl]amino]benzenesulfonic acid
| Molecular Formula | C26H18N2O9S2 |
|---|---|
| Molecular Weight | 566.6 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 204.0 A2 |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 566.04535 |
| Heavy Atoms | 39 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 85455-49-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)S(=O)(=O)O)NC5=CC=C(C=C5)S(=O)(=O)O)O |
| InChIKey | LUHXAYBRFPDKFS-UHFFFAOYSA-N |
📖 Product Overview
EINECS 287-285-7 (CAS: 85455-49-8) is a chemical compound with molecular formula C26H18N2O9S2 and molecular weight 566.6 g/mol. Its IUPAC systematic name is 4-[[4-hydroxy-9,10-dioxo-3-(4-sulfoanilino)anthracen-1-yl]amino]benzenesulfonic acid.
LUHXAYBRFPDKFS-UHFFFAOYSA-N.
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)S(=O)(=O)O)NC5=CC=C(C=C5)S(=O)(=O)O)O.
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