CJI
Summary
Name: | cis-mi2-acetato-(O, O')-N-imidazyl-pentaaqua-dirhodium(II, II) |
Formula: | C5 H10 N2 O6 Rh2 |
Formal charge: | 0 |
Formula weight: | 399.954 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 1-[5-methyl-2,2,3,3-tetrakis(oxidanyl)-1$l^{3},4-dioxa-2$l^{5},3$l^{4}-dirhodacyclopent-5-en-2-yl]imidazole |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C3H3N2.C2H4O2.4H2O.2Rh/c1-2-5-3-4-1;1-2(3)4;;;;;;/h1-3H;1H3,(H,3,4);4*1H2;;/q-1;;;;;;2*+3/p-5 |
InChIKey | InChI | 1.06 | BEADRPPWUGELIN-UHFFFAOYSA-I |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)O[Rh](O)O.O[Rh](O)n1ccnc1 |
SMILES | CACTVS | 3.385 | CC(=O)O[Rh](O)O.O[Rh](O)n1ccnc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=O[Rh]([Rh](O1)(O)O)(n2ccnc2)(O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1=O[Rh]([Rh](O1)(O)O)(n2ccnc2)(O)O |