Catalog Number:
AG00345C
Chemical Name:
4-tert-Butylcalix[4]arene-tetraacetic acid tetraethyl ester
CAS Number:
97600-39-0
Molecular Formula:
C60H80O12
Molecular Weight:
993.2700
MDL Number:
MFCD00145373
IUPAC Name:
ethyl 2-[[5,11,17,23-tetratert-butyl-26,27,28-tris(2-ethoxy-2-oxoethoxy)-25-pentacyclo[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-dodecaenyl]oxy]acetate
InChI:
InChI=1S/C60H80O12/c1-17-65-49(61)33-69-53-37-21-39-27-46(58(8,9)10)29-41(54(39)70-34-50(62)66-18-2)23-43-31-48(60(14,15)16)32-44(56(43)72-36-52(64)68-20-4)24-42-30-47(59(11,12)13)28-40(55(42)71-35-51(63)67-19-3)22-38(53)26-45(25-37)57(5,6)7/h25-32H,17-24,33-36H2,1-16H3
InChI Key:
HZHADWCIBZZJNV-UHFFFAOYSA-N
SMILES:
CCOC(=O)COc1c2Cc3cc(cc(c3OCC(=O)OCC)Cc3cc(cc(Cc4c(c(Cc1cc(c2)C(C)(C)C)cc(c4)C(C)(C)C)OCC(=O)OCC)c3OCC(=O)OCC)C(C)(C)C)C(C)(C)C
EC Number:
619-280-6
