PDB CCD ID: | XX3 |
Number of entries in BioLiP: | 2 |
Chemical formula: | C6 H5 N O6 |
InChI: | InChI=1S/C6H5NO6/c8-5-2-1-4(7(10)11)3-6(5,9)13-12/h1-3,9,12H/t6-/m0/s1 |
InChIKey: | FWUJUIQFDWUIAR-LURJTMIESA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.341 | OO[C@@]1(O)C=C(C=CC1=O)[N+]([O-])=O | OpenEye OEToolkits 1.5.0 | C1=CC(=O)C(C=C1[N+](=O)[O-])(O)OO | CACTVS 3.341 | OO[C]1(O)C=C(C=CC1=O)[N+]([O-])=O | OpenEye OEToolkits 1.5.0 | C1=CC(=O)[C@@](C=C1[N+](=O)[O-])(O)OO | ACDLabs 10.04 | O=[N+]([O-])C1=CC(OO)(O)C(=O)C=C1 |
|
Name: | (1S)-1-HYDROPEROXY-1-HYDROXY-2-KETO-5-NITROCYCLOHEXA-3,5-DIENE |
ZINC: | ZINC000058638950 |