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Substance Name: Calixarene
RN: 130036-26-9
InChIKey: VTJUKNSKBAOEHE-UHFFFAOYSA-N

Note

  • Phenolic metacyclophanes derived from condensation of PHENOLS and ALDEHYDES. The name derives from the vase-like molecular structures. A bracketed [n] indicates the number of aromatic rings.

Molecular Formula

  • C55-H72-O12

Molecular Weight

  • 937.1728
 
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Names and Synonyms

Results Name

  • Calixarene

MeSH Heading

  • Calixarenes

Synonym

  • Calixarene

Systematic Name

  • Acetic acid, 2,2',2'',2'''-((25,26,27,28-tetrakis(1,1-dimethylethyl)pentacyclo(19.3.1.1(3,7).1(9,13).1(15,19))octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-5,11,17,23-tetrayl)tetrakis(oxy))tetrakis-, tetramethyl ester

Registry Numbers

CAS Registry Number

  • 130036-26-9

System Generated Number

  • 0130036269

Structure Descriptors

InChI

1S/C56H72O12/c1-53(2,3)41-21-33-17-35-23-42(54(4,5)6)25-37(50(35)66-30-46(58)62-14)19-39-27-44(56(10,11)12)28-40(52(39)68-32-48(60)64-16)20-38-26-43(55(7,8)9)24-36(51(38)67-31-47(59)63-15)18-34(22-41)49(33)65-29-45(57)61-13/h21-28H,17-20,29-32H2,1-16H3

InChIKey

VTJUKNSKBAOEHE-UHFFFAOYSA-N

Smiles

CC(C)(C)c1cc2c(c(c1)Cc3cc(cc(c3OCC(=O)OC)Cc4cc(cc(c4OCC(=O)OC)Cc5cc(cc(c5OCC(=O)OC)C2)C(C)(C)C)C(C)(C)C)C(C)(C)C)OCC(=O)OC