AC1L3X5B
2',4',5',7'-tetrabromo-1,1-dioxospiro[2,1λ6-benzoxathiole-3,9'-xanthene]-3',6'-diol
Also Known As: 2',4',5',7'-Tetrabromosulfonfluorescein|0-19-00-00402 (Beilstein Handbook Reference)|2',4',5',7'-tetrabromo-1,1-dioxospiro[2,1|2',4',5',7'-Tetrabromo-9-(2-sulfophenyl)-6-hydroxy-3-isoxanthenone|Spiro(3H-2,1-benzoxathiole-3,9'-(9H)xanthene)-3',6'-diol, 2',4',5',7'-tetrabromo-, 1,1-dioxide|2',4',5',7'-Tetrabromospiro(3H-2,1-benzoxathiole-3,9'-(9H)xanthene)-3',6'-diol 1,1-dioxide|Spiro[3H-2,1-benzoxathiole-3,9'-[9H]xanthene]-3',6'-diol, 2',4',5',7'-tetrabromo-, 1,1-dioxide|TETRABROMO-9-(2-SULFOPHENYL)-6-HYDROXY-3-ISOXANTHENONE, 2',4',5',7'-|2',4',5',7'-Tetrabromo-3',6'-dihydroxy-1H-1lambda~6~-spiro[[2,1]benzoxathiole-3,9'-xanthene]-1,1-dione
| Molecular Formula | C19H8Br4O6S |
|---|---|
| Molecular Weight | 679.6775 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 679.6775 |
| Monoisotopic Mass | 679.6775 |
| Heavy Atoms | 30 |
| Complexity | 758.0 |
Chemical Identifiers
| CAS Number | 42522-72-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3(C4=CC(=C(C(=C4OC5=C(C(=C(C=C53)Br)O)Br)Br)O)Br)OS2(=O)=O |
| InChIKey | AZSUKAMNDDZPEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AC1L3X5B (CAS 42522-72-5), with molecular formula C19H8Br4O6S and molecular weight 679.6775 g/mol. IUPAC: 2',4',5',7'-tetrabromo-1,1-dioxospiro[2,1λ6-benzoxathiole-3,9'-xanthene]-3',6'-diol.
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