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CHEBI:51418 - calixresorc[6]arene

ChEBI IDCHEBI:51418
ChEBI Namecalixresorc[6]arene
Stars
Last Modified19 January 2009
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC42H36O12
Net Charge0
Average Mass732.738
Monoisotopic Mass732.22068
SMILESOc1cc(O)c2cc1Cc1cc(c(O)cc1O)Cc1cc(c(O)cc1O)Cc1cc(c(O)cc1O)Cc1cc(c(O)cc1O)Cc1cc(c(O)cc1O)C2
InChIInChI=1S/C42H36O12/c43-31-13-32(44)20-1-19(31)7-21-2-23(35(47)14-33(21)45)9-25-4-27(39(51)16-37(25)49)11-29-6-30(42(54)18-41(29)53)12-28-5-26(38(50)17-40(28)52)10-24-3-22(8-20)34(46)15-36(24)48/h1-6,13-18,43-54H,7-12H2
InChIKeyQUESIFOHXFULEG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
calixresorc[6]arene (CHEBI:51418) has parent hydride calix[6]arene (CHEBI:51252)
calixresorc[6]arene (CHEBI:51418) is a calixresorcarene (CHEBI:51416)
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-4,6,10,12,16,18,22,24,28,30,34,36-dodecol