| PDB CCD ID: | B4N |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C12 H9 N2 O8 P |
| InChI: | InChI=1S/C12H9N2O8P/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10(4-8-12)14(17)18/h1-8H,(H,19,20) |
| InChIKey: | MHSVUSZEHNVFKW-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | c1cc(ccc1[N+](=O)[O-])OP(=O)(O)Oc2ccc(cc2)[N+](=O)[O-] | | ACDLabs 10.04 | [O-][N+](=O)c2ccc(OP(=O)(Oc1ccc(cc1)[N+]([O-])=O)O)cc2 | | CACTVS 3.341 | O[P](=O)(Oc1ccc(cc1)[N+]([O-])=O)Oc2ccc(cc2)[N+]([O-])=O |
|
| Name: | bis(4-nitrophenyl) hydrogen phosphate |
| ChEMBL: | CHEMBL1231178 |
| DrugBank: | DB07418 |
| ZINC: | ZINC000001529745 |
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