52601-78-2
7,16-BIS[(4-METHYLPHENYL)SULFONYL]-1,4,10,13-TETRAOXA-7,16-DIAZACYCLOOCTADECANE
Name7,16-BIS[(4-METHYLPHENYL)SULFONYL]-1,4,10,13-TETRAOXA-7,16-DIAZACYCLOOCTADECANE
1Identification
【Name】
7,16-BIS[(4-METHYLPHENYL)SULFONYL]-1,4,10,13-TETRAOXA-7,16-DIAZACYCLOOCTADECANE
【CAS】
【MDL】
MFCD00187861
【English Synonyms】
【Formula】
C26 H38 N2 O8 S2
【MolWeight】
570.724
【Inchi】
InChI=1S/C26H38N2O8S2/c1-23-3-7-25(8-4-23)37(29,30)27-11-15-33-19-21-35-17-13-28(14-18-36-22-20-34-16-12-27)38(31,32)26-9-5-24(2)6-10-26/h3-10H,11-22H2,1-2H3
【InChIKey】
InChIKey=STPBMUYYGGLOOD-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)S(=O)(=O)N2CCOCCOCCN(CCOCCOCC2)S(=O)(=O)c3ccc(cc3)C
【MOL File】
7,16-BIS[(4-METHYLPH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:10
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7,16-BIS[(4-METHYLPHENYL)SULFONYL]-1,4,10,13-TETRAOXA-7,16-DIAZACYCLOOCTADECANE.cml