ZWL

[Ru2(DPhF)(Formate)(CO3)]

Created:2023-07-06
Last modified:  2023-09-13

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Chemical Details

Formal Charge0
Atom Count38
Chiral Atom Count2
Bond Count42
Aromatic Bond Count12
2D diagram of ZWL

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Chemical Component Summary

Name[Ru2(DPhF)(Formate)(CO3)]
Systematic Name (OpenEye OEToolkits)9,11-diphenyl-2,4,6,8-tetraoxa-9,11-diaza-1$l^{4},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecan-3-one
FormulaC15 H14 N2 O5 Ru2
Molecular Weight504.422
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385O=C1O[Ru]23OCO[Ru]2(O1)N(CN3c4ccccc4)c5ccccc5
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)N2CN([Ru]34[Ru]2(OCO3)OC(=O)O4)c5ccccc5
Canonical SMILESCACTVS3.385 O=C1O[Ru@]23OCO[Ru@@]2(O1)N(CN3c4ccccc4)c5ccccc5
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc(cc1)N2CN([Ru]34[Ru]2(OCO3)OC(=O)O4)c5ccccc5
InChIInChI1.06 InChI=1S/C13H12N2.CH2O3.CH2O2.2Ru/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;2-1(3)4;2-1-3;;/h1-10H,11H2;(H2,2,3,4);1H2;;/q-2;;-2;2*+3/p-2
InChIKeyInChI1.06 BRHWNNYPQHZNLT-UHFFFAOYSA-L