Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O1c6c(C=[N+]2c5c([N+]3=Cc4ccccc4O[Fe]123)cccc5)cccc6 |
SMILES_CANONICAL | CACTVS | 3.341 | O1c2ccccc2C=[N+]3c4ccccc4[N+]5=Cc6ccccc6O[Fe@]135 |
SMILES | CACTVS | 3.341 | O1c2ccccc2C=[N+]3c4ccccc4[N+]5=Cc6ccccc6O[Fe]135 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C=[N+]3c4ccccc4[N+]5=Cc6ccccc6O[Fe]35O2 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2c(c1)C=[N+]3c4ccccc4[N+]5=Cc6ccccc6O[Fe]35O2 |
InChI | InChI | 1.03 | InChI=1S/C20H16N2O2.Fe/c23-19-11-5-1-7-15(19)13-21-17-9-3-4-10-18(17)22-14-16-8-2-6-12-20(16)24;/h1-14,23-24H;/q;+4/p-2/b21-13+,22-14+; |
InChIKey | InChI | 1.03 | BSPYTUHYTMXMCB-JKBLJYNNSA-L |