p-(1,1,3,3-Tetramethylbutyl)calix[4]arene

CAS Registry Number®

42607-92-1

CAS Name

p-(1,1,3,3-Tetramethylbutyl)calix[4]arene

Molecular Formula

C60H88O4

Molecular Mass

873.34

Cite this Page

p-(1,1,3,3-Tetramethylbutyl)calix[4]arene.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=42607-92-1 (retrieved 2024-11-13) (CAS RN: 42607-92-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C60H88O4/c1-53(2,3)33-57(13,14)45-25-37-21-39-27-46(58(15,16)34-54(4,5)6)29-41(50(39)62)23-43-31-48(60(19,20)36-56(10,11)12)32-44(52(43)64)24-42-30-47(59(17,18)35-55(7,8)9)28-40(51(42)63)22-38(26-45)49(37)61/h25-32,61-64H,21-24,33-36H2,1-20H3

InChIKey

InChIKey=KCUQVAUQRGDGKP-UHFFFAOYSA-N

SMILES

OC=1C2=CC(C(CC(C)(C)C)(C)C)=CC1CC3=CC(C(CC(C)(C)C)(C)C)=CC(=C3O)CC4=C(O)C(CC5=C(O)C(C2)=CC(C(CC(C)(C)C)(C)C)=C5)=CC(C(CC(C)(C)C)(C)C)=C4

Canonical SMILES

OC=1C2=CC(=CC1CC3=CC(=CC(=C3O)CC=4C=C(C=C(C4O)CC=5C=C(C=C(C5O)C2)C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)C

Other Names for this Substance

  • Pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetrol, 5,11,17,23-tetrakis(1,1,3,3-tetramethylbutyl)-
  • 5,11,17,23-Tetrakis(1,1,3,3-tetramethylbutyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,26,27,28-tetrol
  • p-(1,1,3,3-Tetramethylbutyl)calix[4]arene

CAS INSIGHTSTM
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