Cas no 201996-38-5 (1,7,13-Trioxa-4,10,16-triazacyclooctadecane,4,10,16-tris[(4-methylphenyl)sulfonyl]-)
201996-38-5 structure
Product Name:1,7,13-Trioxa-4,10,16-triazacyclooctadecane,4,10,16-tris[(4-methylphenyl)sulfonyl]-
CAS No:201996-38-5
MF:C33H45N3O9S3
MW:723.920105695724
CID:1395211
PubChem ID:564175
Update Time:2025-04-20
1,7,13-Trioxa-4,10,16-triazacyclooctadecane,4,10,16-tris[(4-methylphenyl)sulfonyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1,7,13-Trioxa-4,10,16-triazacyclooctadecane,4,10,16-tris[(4-methylphenyl)sulfonyl]-
- 4,10,16-TRIS(4-METHYLBENZENESULFONYL)-1,7,13-TRIOXA-4,10,16-TRIAZACYCLOOCTADECANE
- 4,10,16-Tris[(4-methylphenyl)sulfonyl]-1,7,13-trioxa-4,10,16-triazacyclooctadecane
- AKOS001586915
- DTXSID701130805
- 4,10,16-Tris[(4-methylphenyl)sulfonyl]-1,7,13-trioxa-4,10,16-triazacyclooctadecane #
- STK368177
- ZWZKIZMEFFTNEM-UHFFFAOYSA-N
- 201996-38-5
- 1,7,13-Trioxa-4,10,16-triazacyclooctadecane, 4,10,16-tris[(4-methylphenyl)sulfonyl]-
-
- Inchi: 1S/C33H45N3O9S3/c1-28-4-10-31(11-5-28)46(37,38)34-16-22-43-24-18-35(47(39,40)32-12-6-29(2)7-13-32)20-26-45-27-21-36(19-25-44-23-17-34)48(41,42)33-14-8-30(3)9-15-33/h4-15H,16-27H2,1-3H3
- InChI Key: ZWZKIZMEFFTNEM-UHFFFAOYSA-N
- SMILES: S(C1C=CC(C)=CC=1)(N1CCOCCN(CCOCCN(CCOCC1)S(C1C=CC(C)=CC=1)(=O)=O)S(C1C=CC(C)=CC=1)(=O)=O)(=O)=O
Computed Properties
- Exact Mass: 723.23179354g/mol
- Monoisotopic Mass: 723.23179354g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 48
- Rotatable Bond Count: 6
- Complexity: 1080
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 165?2
1,7,13-Trioxa-4,10,16-triazacyclooctadecane,4,10,16-tris[(4-methylphenyl)sulfonyl]- Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
201996-38-5 (1,7,13-Trioxa-4,10,16-triazacyclooctadecane,4,10,16-tris[(4-methylphenyl)sulfonyl]-) Related Products
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