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Details

Stereochemistry ACHIRAL
Molecular Formula C36H44N4O8S4
Molecular Weight 789.017
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,4,7,10-Tetrakis[(4-methylphenyl)sulfonyl]-1,4,7,10-tetraazacyclododecane

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCN(CCN(CC2)S(=O)(=O)C3=CC=C(C)C=C3)S(=O)(=O)C4=CC=C(C)C=C4)S(=O)(=O)C5=CC=C(C)C=C5

InChI

InChIKey=SKTWVKMQYXXWNY-UHFFFAOYSA-N
InChI=1S/C36H44N4O8S4/c1-29-5-13-33(14-6-29)49(41,42)37-21-23-38(50(43,44)34-15-7-30(2)8-16-34)25-27-40(52(47,48)36-19-11-32(4)12-20-36)28-26-39(24-22-37)51(45,46)35-17-9-31(3)10-18-35/h5-20H,21-28H2,1-4H3

HIDE SMILES / InChI

Approval Year

Name Type Language
1,4,7,10-Tetrakis[(4-methylphenyl)sulfonyl]-1,4,7,10-tetraazacyclododecane
Systematic Name English
1,4,7,10-Tetraazacyclododecane, 1,4,7,10-tetrakis[(4-methylphenyl)sulfonyl]-
Systematic Name English
1,4,7,10-Tetraazacyclododecane, 1,4,7,10-tetrakis(p-tolylsulfonyl)-
Systematic Name English
1,4,7,10-Tetratosyl-1,4,7,10-tetraazacyclodecane
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID70384364
Created by admin on Sat Dec 16 19:20:34 GMT 2023 , Edited by admin on Sat Dec 16 19:20:34 GMT 2023
PRIMARY
PUBCHEM
2802555
Created by admin on Sat Dec 16 19:20:34 GMT 2023 , Edited by admin on Sat Dec 16 19:20:34 GMT 2023
PRIMARY
CAS
52667-88-6
Created by admin on Sat Dec 16 19:20:34 GMT 2023 , Edited by admin on Sat Dec 16 19:20:34 GMT 2023
PRIMARY
FDA UNII
BT4CJZ8VFK
Created by admin on Sat Dec 16 19:20:34 GMT 2023 , Edited by admin on Sat Dec 16 19:20:34 GMT 2023
PRIMARY