YJT

6,8-bis(4-fluorophenyl)-1,5-bis(oxidanyl)-2,4-dioxa-6,8-diaza-1$l^{4},5$l^{4}-diruthenabicyclo[3.3.0]octan-3-one

Created: 2023-06-19
Last modified:  2023-07-19

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count2
Bond Count40
Aromatic Bond Count12
2D diagram of YJT
Toggle HydrogenToggle Labels

Chemical Component Summary

Name6,8-bis(4-fluorophenyl)-1,5-bis(oxidanyl)-2,4-dioxa-6,8-diaza-1$l^{4},5$l^{4}-diruthenabicyclo[3.3.0]octan-3-one
Systematic Name (OpenEye OEToolkits)6,8-bis(4-fluorophenyl)-1,5-bis(oxidanyl)-2,4-dioxa-6,8-diaza-1$l^{4},5$l^{4}-diruthenabicyclo[3.3.0]octan-3-one
FormulaC14 H12 F2 N2 O5 Ru2
Molecular Weight528.392
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385O[Ru]12OC(=O)O[Ru]1(O)N(CN2c3ccc(F)cc3)c4ccc(F)cc4
SMILESOpenEye OEToolkits2.0.7c1cc(ccc1N2CN([Ru]3([Ru]2(OC(=O)O3)O)O)c4ccc(cc4)F)F
Canonical SMILESCACTVS3.385 O[Ru@]12OC(=O)O[Ru@@]1(O)N(CN2c3ccc(F)cc3)c4ccc(F)cc4
Canonical SMILESOpenEye OEToolkits2.0.7 c1cc(ccc1N2CN([Ru]3([Ru]2(OC(=O)O3)O)O)c4ccc(cc4)F)F
InChIInChI1.06 InChI=1S/C13H10F2N2.CH2O3.2H2O.2Ru/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13;2-1(3)4;;;;/h1-8H,9H2;(H2,2,3,4);2*1H2;;/q-2;;;;2*+3/p-4
InChIKeyInChI1.06 MTQUSIMNYQTHAA-UHFFFAOYSA-J