Analyte Name

4-Sulfonatocalix[5]arene Pentasodium Salt

CAS Number

176684-19-8

Molecular Formula

C35H25Na5O20S5 • xH2O

Molecular Weight

1058.9

SMILES

O=S(C1=CC(CC2=CC(S(=O)(O[Na])=O)=CC(CC3=CC(S(=O)(O[Na])=O)=CC(CC4=CC(S(=O)(O[Na])=O)=CC(CC5=CC(S(=O)(O[Na])=O)=CC6=C5O)=C4O)=C3O)=C2O)=C(C(C6)=C1)O)(O[Na])=O.O

InChI

InChI=1S/C35H30O20S5.5Na.H2O/c36-31-16-1-17-7-27(57(44,45)46)9-19(32(17)37)3-21-11-29(59(50,51)52)13-23(34(21)39)5-25-15-30(60(53,54)55)14-24(35(25)40)4-22-12-28(58(47,48)49)10-20(33(22)38)2-18(31)8-26(6-16)56(41,42)43;;;;;;/h6-15,36-40H,1-5H2,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55);;;;;;1H2/q;5*+1;/p-5

IUPAC

sodium 12,32,52,72,92-pentahydroxy-1,3,5,7,9(1,3)-pentabenzenacyclodecaphane-15,35,55,75,95-pentasulfonate hydrate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat