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CHEBI:51605 - dioxo(superphthalocyaninato)uranium

ChEBI IDCHEBI:51605
ChEBI Namedioxo(superphthalocyaninato)uranium
Stars
Last Modified28 March 2011
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC40H20N10O2U
Net Charge0
Average Mass910.697
Monoisotopic Mass910.22786
SMILES[O]=[U]1234(=[O])[N]5=C6N=C7c8ccccc8C(=[N]71)N=c1c7ccccc7c([n]12)=NC1=[N]3C(=Nc2c3ccccc3c([n]24)N=C5c2ccccc26)c2ccccc21
InChIInChI=1S/C40H20N10.2O.U/c1-2-12-22-21(11-1)31-41-32(22)47-34-25-15-5-6-16-26(25)36(43-34)49-38-29-19-9-10-20-30(29)40(45-38)50-39-28-18-8-7-17-27(28)37(44-39)48-35-24-14-4-3-13-23(24)33(42-35)46-31;;;/h1-20H;;;/q-2;;;+2
InChIKeyMRDAZJLXZHKBHW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
dioxo(superphthalocyaninato)uranium (CHEBI:51605) is a superphthalocyanines (CHEBI:51604)
dioxo(superphthalocyaninato)uranium (CHEBI:51605) is a uranium coordination entity (CHEBI:37587)
IUPAC Name 
[2,11,20,29,38,46,47,48,49,50-decaazaundecacyclo[37.6.1.13,10.112,19.121,28.130,37.04,9.013,18.022,27.031,36.040,45]pentaconta-1(46),2,4,6,8,10(50),11,13,15,17,19,21(48),22,24,26,28,30,32,34,36,38,40,42,44-tetracosaenato(2−)-κ5N46,N47,N48,N49,N50](dioxo)uranium
Registry NumbersSources
Gmelin:87420Gmelin