| PDB CCD ID: | QV8 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C20 H13 N O5 S |
| InChI: | InChI=1S/C20H13NO5S/c22-19-14-8-4-5-9-15(14)20(23)18-16(19)10-13(27(24,25)26)11-17(18)21-12-6-2-1-3-7-12/h1-11,21H,(H,24,25,26) |
| InChIKey: | AAKZMFOUEBXRTE-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | O[S](=O)(=O)c1cc(Nc2ccccc2)c3C(=O)c4ccccc4C(=O)c3c1 | | OpenEye OEToolkits 1.7.0 | c1ccc(cc1)Nc2cc(cc3c2C(=O)c4ccccc4C3=O)S(=O)(=O)O | | ACDLabs 12.01 | O=S(=O)(O)c3cc2C(=O)c1ccccc1C(=O)c2c(c3)Nc4ccccc4 |
|
| Name: | 9,10-dioxo-4-(phenylamino)-9,10-dihydroanthracene-2-sulfonic acid;
Acid blue 25 |
| ZINC: | ZINC000066166427 |
umich.edu