Catalog Number:
AG0029C5
Chemical Name:
4-tert-Butylsulfonylcalix[4]arene
CAS Number:
204190-49-8
Molecular Formula:
C40H48O12S4
Molecular Weight:
849.0619
MDL Number:
MFCD06797060
IUPAC Name:
5,11,17,23-tetratert-butyl-2,2,8,8,14,14,20,20-octaoxo-2λ6,8λ6,14λ6,20λ6-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
InChI:
InChI=1S/C40H48O12S4/c1-37(2,3)21-13-25-33(41)26(14-21)54(47,48)28-16-23(39(7,8)9)18-30(35(28)43)56(51,52)32-20-24(40(10,11)12)19-31(36(32)44)55(49,50)29-17-22(38(4,5)6)15-27(34(29)42)53(25,45)46/h13-20,41-44H,1-12H3
InChI Key:
BOLKLFFOYGXSKT-UHFFFAOYSA-N
SMILES:
CC(c1cc2c(c(c1)S(=O)(=O)c1cc(cc(c1O)S(=O)(=O)c1c(c(S(=O)(=O)c3c(c(S2(=O)=O)cc(c3)C(C)(C)C)O)cc(c1)C(C)(C)C)O)C(C)(C)C)O)(C)C
