| PDB CCD ID: | AQN |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C14 H8 O5 S |
| InChI: | InChI=1S/C14H8O5S/c15-13-9-3-1-2-4-10(9)14(16)12-7-8(20(17,18)19)5-6-11(12)13/h1-7H,(H,17,18,19) |
| InChIKey: | MMNWSHJJPDXKCH-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.370 | O[S](=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1 | | OpenEye OEToolkits 1.7.2 | c1ccc2c(c1)C(=O)c3ccc(cc3C2=O)S(=O)(=O)O | | ACDLabs 12.01 | O=S(=O)(O)c3ccc2C(=O)c1c(cccc1)C(=O)c2c3 |
|
| Name: | 9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid |
| ChEMBL: | CHEMBL3305895 |
| ZINC: | ZINC000003875860 |
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