5,11,17,23-Tetrakis(2-Methyl-2-Propanyl)-26,28-Bis[2-(Methylsulfanyl)Ethoxy]Pentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]Octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-Dodecaene-25,27-Diol
[CAS# 145237-25-8]

Identification

• Classification: Analytical chemistry >> Analytical reagent >> Common analytical reagents
• Name: 5,11,17,23-Tetrakis(2-Methyl-2-Propanyl)-26,28-Bis[2-(Methylsulfanyl)Ethoxy]Pentacyclo[19.3.1.1^3,7.1^9,13.1^15,19]Octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-Dodecaene-25,27-Diol
• Synonyms: O,O''-Bis[2-(methylthio)ethyl]-tert-butylcalix[4]arene; Silver ionophore IV; 15094_FLUKA
• Molecular Formula: C₅₀H₆₈O₄S₂
• Molecular Weight: 797.20
• CAS Registry Number: 145237-25-8
• SMILES: Oc1c5cc(cc1Cc2cc(cc(c2OCCSC)Cc3c(O)c(cc(c3)C(C)(C)C)Cc4c(OCCSC)c(cc(c4)C(C)(C)C)C5)C(C)(C)C)C(C)(C)C
• InChI: 1S/C50H68O4S2/c1-47(2,3)39-23-31-19-35-27-41(49(7,8)9)29-37(45(35)53-15-17-55-13)21-33-25-40(48(4,5)6)26-34(44(33)52)22-38-30-42(50(10,11)12)28-36(20-32(24-39)43(31)51)46(38)54-16-18-56-14/h23-30,51-52H,15-22H2,1-14H3
• InChIKey: DKWOMOMMOUZRFI-UHFFFAOYSA-N

Properties

• Density: 1.081g/cm³ (Cal.)
• Boiling point: 814.343°C at 760 mmHg (Cal.)
• Flash point: 446.298°C (Cal.)
• Refractive index: 1.57 (Cal.)