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CHEBI:51252 - calix[6]arene

ChEBI IDCHEBI:51252
ChEBI Namecalix[6]arene
Stars
Last Modified29 January 2009
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC42H36
Net Charge0
Average Mass540.750
Monoisotopic Mass540.28170
SMILESc1cc2cc(c1)Cc1cccc(c1)Cc1cccc(c1)Cc1cccc(c1)Cc1cccc(c1)Cc1cccc(c1)C2
InChIInChI=1S/C42H36/c1-7-31-19-32(8-1)26-34-10-3-12-36(21-34)28-38-14-5-16-40(23-38)30-42-18-6-17-41(24-42)29-39-15-4-13-37(22-39)27-35-11-2-9-33(20-35)25-31/h1-24H,25-30H2
InChIKeyMMYYTPYDNCIFJU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
calix[6]arene (CHEBI:51252) is a calixarene (CHEBI:51198)
Incoming Relation(s)
5,11,17,23,29,35-hexa-tert-butylcalix[6]arene-37,38,39,40,41,42-hexol (CHEBI:51251) has parent hydride calix[6]arene (CHEBI:51252)
calixresorc[6]arene (CHEBI:51418) has parent hydride calix[6]arene (CHEBI:51252)
IUPAC Name 
heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene