1019850-90-8
DIOXIRENO[7,8:2'',3'',10,11:2''',3'''][5,6]FULLERENO-C60-1H-[1,9:4',5']THIAZOL-2'(3'H)-ONE, 24,27-BIS[(1,1-DIMETHYLETHYL)DIOXY]-24,27-DIHYDRO-3'-PHENYL-
NameDIOXIRENO[7,8:2'',3'',10,11:2''',3'''][5,6]FULLERENO-C60-1H-[1,9:4',5']THIAZOL-2'(3'H)-ONE, 24,27-BIS[(1,1-DIMETHYLETHYL)DIOXY]-24,27-DIHYDRO-3'-PHENYL-
1Identification
【Name】
DIOXIRENO[7,8:2'',3'',10,11:2''',3'''][5,6]FULLERENO-C60-1H-[1,9:4',5']THIAZOL-2'(3'H)-ONE, 24,27-BIS[(1,1-DIMETHYLETHYL)DIOXY]-24,27-DIHYDRO-3'-PHENYL-
【CAS】
【MDL】
MFCD11975278
【English Synonyms】
DIOXIRENO[7,8:2'',3'',10,11:2''',3'''][5,6]FULLERENO-C60-1H-[1,9:4',5']THIAZOL-2'(3'H)-ONE, 24,27-BIS[(1,1-DIMETHYLETHYL)DIOXY]-24,27-DIHYDRO-3'-PHENYL-
【Formula】
C75 H23 N O7 S
【MolWeight】
1082.07
【Inchi】
InChI=1S/C75H23NO7S/c1-66(2,3)80-82-68-53-43-33-23-18-13-14-16-17-15(13)20-26-24(18)34(33)44-46-36(26)40-30(20)32-22(17)28-27-21(16)31-29-19(14)25(23)35-39(29)49-51-41(31)37(27)47-48-38(28)42(32)52-50(40)60-56(46)69(54(44)53,83-81-67(4,5)6)64-63(68)73-71(78-73,59(49)55(68)45(35)43)61(51)57(47)70-58(48)62(52)72(60)74(64,79-72)75(70,73)84-65(77)76(70)12-10-8-7-9-11-12/h7-11H,1-6H3
【InChIKey】
InChIKey=ILTHPCKKHAWJSV-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OOC12c3c4c5c6c7c8c9c%10c%11c8c8c%12c7c5c5c3C3(c7c5c%12c5c8c8c%11c%11c%12c%10c%10c%13c9c6c6c%13c9c%13c%10c%12c%10c%12c%11c8c8c5c7C57c8c%12C8%11c%10c%13C%10(c9c1c64)C1(C2=C3C5(C81SC(=O)N%11c1ccccc1)O7)O%10)OOC(C)(C)C
【MOL File】
DIOXIRENO[7,8:2'',3'….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DIOXIRENO[7,8:2'',3'',10,11:2''',3'''][5,6]FULLERENO-C60-1H-[1,9:4',5']THIAZOL-2'(3'H)-ONE, 24,27-BIS[(1,1-DIMETHYLETHYL)DIOXY]-24,27-DIHYDRO-3'-PHENYL-.cml