Catalog Number:
AG0023XJ
Chemical Name:
4-tert-Butylthiacalix[4]arene
CAS Number:
182496-55-5
Molecular Formula:
C40H48O4S4
Molecular Weight:
721.0667
MDL Number:
MFCD04038412
IUPAC Name:
5,11,17,23-tetratert-butyl-2,8,14,20-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/C40H48O4S4/c1-37(2,3)21-13-25-33(41)26(14-21)46-28-16-23(39(7,8)9)18-30(35(28)43)48-32-20-24(40(10,11)12)19-31(36(32)44)47-29-17-22(38(4,5)6)15-27(45-25)34(29)42/h13-20,41-44H,1-12H3
InChI Key:
PDEJSTNRUYUEQL-UHFFFAOYSA-N
SMILES:
CC(c1cc2Sc3cc(cc(c3O)Sc3cc(cc(Sc4c(c(Sc(c1)c2O)cc(c4)C(C)(C)C)O)c3O)C(C)(C)C)C(C)(C)C)(C)C
