| PDB CCD ID: | I8Q |
| Number of entries in BioLiP: | 3 |
| Chemical formula: | C14 H9 N O6 S |
| InChI: | InChI=1S/C14H9NO6S/c15-11-10-8(5-9(14(11)18)22(19,20)21)12(16)6-3-1-2-4-7(6)13(10)17/h1-5,18H,15H2,(H,19,20,21) |
| InChIKey: | CDACXRLIDPHNCR-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=S(=O)(O)c1cc2C(=O)c3ccccc3C(=O)c2c(N)c1O | | OpenEye OEToolkits 2.0.7 | c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)N)O)S(=O)(=O)O | | CACTVS 3.385 | Nc1c(O)c(cc2C(=O)c3ccccc3C(=O)c12)[S](O)(=O)=O |
|
| Name: | 4-amino-3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid |
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