1,4,8,11-Tetrakis[(4-methylphenyl)sulfonyl]-1,4,8,11-tetraazacyclotetradecane

CAS Registry Number®

71089-74-2
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CAS Name

1,4,8,11-Tetrakis[(4-methylphenyl)sulfonyl]-1,4,8,11-tetraazacyclotetradecane

Molecular Formula

C38H48N4O8S4

Molecular Mass

817.07

Cite this Page

1,4,8,11-Tetrakis[(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=71089-74-2 (retrieved 2024-05-07) (CAS RN: 71089-74-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    284-287 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C38H48N4O8S4/c1-31-7-15-35(16-8-31)51(43,44)39-23-5-24-41(53(47,48)37-19-11-33(3)12-20-37)29-30-42(54(49,50)38-21-13-34(4)14-22-38)26-6-25-40(28-27-39)52(45,46)36-17-9-32(2)10-18-36/h7-22H,5-6,23-30H2,1-4H3

InChIKey

InChIKey=OVVMBINCTWKHOS-UHFFFAOYSA-N

SMILES

S(=O)(=O)(N1CCN(S(=O)(=O)C2=CC=C(C)C=C2)CCCN(S(=O)(=O)C3=CC=C(C)C=C3)CCN(S(=O)(=O)C4=CC=C(C)C=C4)CCC1)C5=CC=C(C)C=C5

Canonical SMILES

O=S(=O)(C1=CC=C(C=C1)C)N2CCN(CCCN(CCN(CCC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C)S(=O)(=O)C5=CC=C(C=C5)C

Other Names for this Substance

  • 1,4,8,11-Tetraazacyclotetradecane, 1,4,8,11-tetrakis[(4-methylphenyl)sulfonyl]-
  • 1,4,8,11-Tetraazacyclotetradecane, 1,4,8,11-tetrakis(p-tolylsulfonyl)-
  • 1,4,8,11-Tetrakis[(4-methylphenyl)sulfonyl]-1,4,8,11-tetraazacyclotetradecane
  • 1,4,8,11-Tetratosyl-1,4,8,11-tetraazacyclotetradecane

Deleted or Replaced CAS Registry Numbers

1187178-73-9

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