1,1′-[1,4-Phenylenebis(methylene)]bis[4,8,11-tris[(4-methylphenyl)sulfonyl]-1,4,8,11-tetraazacyclotetradecane

CAS Registry Number®

110078-47-2
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CAS Name

1,1′-[1,4-Phenylenebis(methylene)]bis[4,8,11-tris[(4-methylphenyl)sulfonyl]-1,4,8,11-tetraazacyclotetradecane

Molecular Formula

C70H90N8O12S6

Molecular Mass

1427.90

Cite this Page

1,1′-[1,4-Phenylenebis(methylene)]bis[4,8,11-tris[(4-methylphenyl)sulfonyl]-1,4,8,11-tetraazacyclotetradecane.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=110078-47-2 (retrieved 2024-09-07) (CAS RN: 110078-47-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C70H90N8O12S6/c1-57-11-27-65(28-12-57)91(79,80)73-43-9-45-77(95(87,88)69-35-19-61(5)20-36-69)53-51-75(93(83,84)67-31-15-59(3)16-32-67)41-7-39-71(47-49-73)55-63-23-25-64(26-24-63)56-72-40-8-42-76(94(85,86)68-33-17-60(4)18-34-68)52-54-78(96(89,90)70-37-21-62(6)22-38-70)46-10-44-74(50-48-72)92(81,82)66-29-13-58(2)14-30-66/h11-38H,7-10,39-56H2,1-6H3

InChIKey

InChIKey=DSYDEHAVVVQGIK-UHFFFAOYSA-N

SMILES

S(=O)(=O)(N1CCN(S(=O)(=O)C2=CC=C(C)C=C2)CCCN(CC3=CC=C(CN4CCN(S(=O)(=O)C5=CC=C(C)C=C5)CCCN(S(=O)(=O)C6=CC=C(C)C=C6)CCN(S(=O)(=O)C7=CC=C(C)C=C7)CCC4)C=C3)CCN(S(=O)(=O)C8=CC=C(C)C=C8)CCC1)C9=CC=C(C)C=C9

Canonical SMILES

O=S(=O)(C1=CC=C(C=C1)C)N2CCN(CC3=CC=C(C=C3)CN4CCN(CCCN(CCN(CCC4)S(=O)(=O)C5=CC=C(C=C5)C)S(=O)(=O)C6=CC=C(C=C6)C)S(=O)(=O)C7=CC=C(C=C7)C)CCCN(CCN(CCC2)S(=O)(=O)C8=CC=C(C=C8)C)S(=O)(=O)C9=CC=C(C=C9)C

Other Names for this Substance

  • 1,4,8,11-Tetraazacyclotetradecane, 1,1′-[1,4-phenylenebis(methylene)]bis[4,8,11-tris[(4-methylphenyl)sulfonyl]-
  • 1,1′-[1,4-Phenylenebis(methylene)]bis[4,8,11-tris[(4-methylphenyl)sulfonyl]-1,4,8,11-tetraazacyclotetradecane

Deleted or Replaced CAS Registry Numbers

1187178-75-1