Octahydro-1,4,7-tris[(4-methylphenyl)sulfonyl]-1H-1,4,7-triazonine
CAS Registry Number®
52667-89-7
CAS Name
Octahydro-1,4,7-tris[(4-methylphenyl)sulfonyl]-1H-1,4,7-triazonineMolecular Formula
C27H33N3O6S3Molecular Mass
591.76Cite this Page
Octahydro-1,4,7-tris[(4-methylphenyl)sulfonyl]-1H-1,4,7-triazonine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=52667-89-7 (retrieved ) (CAS RN: 52667-89-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
222 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C27H33N3O6S3/c1-22-4-10-25(11-5-22)37(31,32)28-16-18-29(38(33,34)26-12-6-23(2)7-13-26)20-21-30(19-17-28)39(35,36)27-14-8-24(3)9-15-27/h4-15H,16-21H2,1-3H3
InChIKey
InChIKey=BLZOXONTWBENEK-UHFFFAOYSA-N
SMILES
S(=O)(=O)(N1CCN(S(=O)(=O)C2=CC=C(C)C=C2)CCN(S(=O)(=O)C3=CC=C(C)C=C3)CC1)C4=CC=C(C)C=C4
Canonical SMILES
O=S(=O)(C1=CC=C(C=C1)C)N2CCN(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C
Other Names for this Substance
- 1H-1,4,7-Triazonine, octahydro-1,4,7-tris[(4-methylphenyl)sulfonyl]-
- Octahydro-1,4,7-tris[(4-methylphenyl)sulfonyl]-1H-1,4,7-triazonine
- 1,4,7-Tris(p-tolylsulfonyl)-1,4,7-triazacyclononane
- 1,4,7-Tritosyl-1,4,7-triazacyclononane
- 1,4,7-Tris(4-toluenesulfonyl)-1,4,7-triazacyclononane
