CAS 82452-93-5 Calix[8]arene - Materials / Alfa Chemistry

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Macrocycles

Calix[8]arene

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Catalog Number

ACM82452935-1

Product Name

Calix[8]arene

CAS

82452-93-5

Category

Macrocycles

IUPAC Name

nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3(56),4,6,9(55),10,12,15(54),16,18,21(53),22,24,27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene-49,50,51,52,53,54,55,56-octol

Molecular Weight

849g/mol

Molecular Formula

C56H48O8

Canonical SMILES

C1C2=C(C(=CC=C2)CC3=C(C(=CC=C3)CC4=C(C(=CC=C4)CC5=C(C(=CC=C5)CC6=CC=CC(=C6O)CC7=CC=CC(=C7O)CC8=CC=CC(=C8O)CC9=CC=CC1=C9O)O)O)O)O

InChI

InChI=1S/C56H48O8/c57-49-33-9-1-10-34(49)26-36-12-3-14-38(51(36)59)28-40-16-5-18-42(53(40)61)30-44-20-7-22-46(55(44)63)32-48-24-8-23-47(56(48)64)31-45-21-6-19-43(54(45)62)29-41-17-4-15-39(52(41)60)27-37-13-2-11-35(25-33)50(37)58/h1-24,57-64H,25-32H2

InChI Key

HDPRHRZFFPXZIL-UHFFFAOYSA-N

Complexity

1040

Covalently-Bonded Unit Count

Exact Mass

848.334918g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

848.334918g/mol

Rotatable Bond Count