6,9,12,33,36,39-Hexaoxaoctacyclo[42.3.1.0^5,47.0^13,22.0^16,21.0^23,32.0^24,29.0^40,45]octatetraconta-1(47),2,4,13(22),14,16,18,20,23,25,27,29,31,40,42,44-hexadecaene-46,48-dione
[CAS# 721924-26-1]

Identification

• Name: 6,9,12,33,36,39-Hexaoxaoctacyclo[42.3.1.0^5,47.0^13,22.0^16,21.0^23,32.0^24,29.0^40,45]octatetraconta-1(47),2,4,13(22),14,16,18,20,23,25,27,29,31,40,42,44-hexadecaene-46,48-dione
• Synonyms: 2,5,8,10,13,16-Hexaoxa-1(1,8)-anthraquinona-9(2,2')-1,1'-binaphthalinacyclohexadecaphane; Rubidium Ionophore; Rubidium Ionophore I
• Molecular Formula: C₄₂H₃₄O₈
• Molecular Weight: 666.71
• CAS Registry Number: 721924-26-1
• SMILES: O=C5c3cccc2OCCOCCOc8ccc1ccccc1c8c6c7ccccc7ccc6OCCOCCOc4cccc5c4C(=O)c23
• InChI: 1S/C42H34O8/c43-41-31-11-5-13-33-39(31)42(44)40-32(41)12-6-14-34(40)48-24-20-46-22-26-50-36-18-16-28-8-2-4-10-30(28)38(36)37-29-9-3-1-7-27(29)15-17-35(37)49-25-21-45-19-23-47-33/h1-18H,19-26H2
• InChIKey: BTGQLABSOYZCLX-UHFFFAOYSA-N

Properties

• Density: 1.262g/cm³ (Cal.)
• Boiling point: 902.896°C at 760 mmHg (Cal.)
• Flash point: 365.266°C (Cal.)
• Refractive index: 1.631 (Cal.)