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CHEBI:53191 - (C5Me5)2U[=N-2,6-(i-Pr)2C6H3](SPh)

ChEBI IDCHEBI:53191
ChEBI Name(C5Me5)2U[=N-2,6-(i-Pr)2C6H3](SPh)
Stars
ASCII Name(C5Me5)2U[=N-2,6-(i-Pr)2C6H3](SPh)
DefinitionA uranium coordination entity consisting of uranium(V) bound to two pentamethylcyclopentadienyl groups, a 2,6-diisopropylanilino group (via a U=N bond) and a phenylthio group.
Last Modified30 September 2009
SubmitterSteve
DownloadsMolfile
FormulaC38H52NSU
Net Charge0
Average Mass792.937
Monoisotopic Mass792.43283
SMILESCC(C)c1cccc(C(C)C)c1[N]=[U]12345678([S]c9ccccc9)([C]9(C)[C]1(C)[C]2(C)[C]3(C)[C]94C)[C]1(C)[C]5(C)[C]6(C)[C]7(C)[C]18C
InChIInChI=1S/C12H17N.2C10H15.C6H6S.U/c1-8(2)10-6-5-7-11(9(3)4)12(10)13;2*1-6-7(2)9(4)10(5)8(6)3;7-6-4-2-1-3-5-6;/h5-9H,1-4H3;2*1-5H3;1-5,7H;/q;;;;+1/p-1
InChIKeyUEOYTEXAPNFGHU-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
(C5Me5)2U[=N-2,6-(i-Pr)2C6H3](SPh) (CHEBI:53191) is a organothiolate (CHEBI:52470)
(C5Me5)2U[=N-2,6-(i-Pr)2C6H3](SPh) (CHEBI:53191) is a uranium coordination entity (CHEBI:37587)
IUPAC Name 
(benzenethiolato)[(2,6-diisopropylphenyl)imino]bis[(1,2,3,4,5-η)-pentamethylcyclopentadienyl]uranium