| Properties | Image | Occurences in reactions |
MNX_ID | MNXM1112430 |
|
| #reac |
in my sandbox |
0 |
in MNXref (generic) | 2 |
in models (compartimentalized) |
0 |
|
formula | C26H19N3O11S2 |
charge | -2 |
mass | 613.0472 |
reference | seedM:cpd35752 |
InChIKey | BBRFYHLBEBOIAI-UHFFFAOYSA-L |
InChI | InChI=1S/C26H21N3O11S2/c30-25-26(40-37-25,15-18-6-10-20(11-7-18)38-41(31,32)33)29-24-22(14-17-4-2-1-3-5-17)28-23(16-27-24)19-8-12-21(13-9-19)39-42(34,35)36/h1-13,16H,14-15H2,(H,27,29)(H,31,32,33)(H,34,35,36)/p-2 |
SMILES | O=C1OOC1(Cc1ccc(OS(=O)(=O)[O-])cc1)Nc1ncc(-c2ccc(OS(=O)(=O)[O-])cc2)nc1Cc1ccccc1 |
|