CAS 96107-95-8 Calix[6]Arene - Materials / Alfa Chemistry

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Macrocycles

Calix[6]Arene

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Catalog Number

ACM96107958-1

Product Name

Calix[6]Arene

Structure

CAS

96107-95-8

Category

Macrocycles

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),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene-37,38,39,40,41,42-hexol

Molecular Weight

636.73

Molecular Formula

C42H36O6

Canonical SMILES

C1C2=C(C(=CC=C2)CC3=C(C(=CC=C3)CC4=C(C(=CC=C4)CC5=CC=CC(=C5O)CC6=CC=CC(=C6O)CC7=CC=CC1=C7O)O)O)O

InChI

InChI=1S/C42H36O6/c43-37-25-7-1-8-26(37)20-28-10-3-12-30(39(28)45)22-32-14-5-16-34(41(32)47)24-36-18-6-17-35(42(36)48)23-33-15-4-13-31(40(33)46)21-29-11-2-9-27(19-25)38(29)44/h1-18,43-48H,19-24H2

InChI Key

JLSWUKWFQCVKCL-UHFFFAOYSA-N

Boiling Point

788.8 °C at 760 mmHg (Predicted)

Complexity

745

Covalently-Bonded Unit Count

Exact Mass

636.251189g/mol

Formal Charge

Heavy Atom Count

MeSH Entry Terms