1019850-91-9
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-IHYDRO-3'-(1-NAPHTHALENYL)-
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-IHYDRO-3'-(1-NAPHTHALENYL)-
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-IHYDRO-3'-(1-NAPHTHALENYL)-
【CAS】
【MDL】
MFCD11975279
【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-IHYDRO-3'-(1-NAPHTHALENYL)-
【Formula】
C79 H25 N O7 S
【MolWeight】
1132.13
【Inchi】
InChI=1S/C79H25NO7S/c1-70(2,3)84-86-72-57-47-37-27-22-17-18-20-21-19(17)24-30-28(22)38(37)48-50-40(30)44-34(24)36-26(21)32-31-25(20)35-33-23(18)29(27)39-43(33)53-55-45(35)41(31)51-52-42(32)46(36)56-54(44)64-60(50)73(58(48)57,87-85-71(4,5)6)68-67(72)77-75(82-77,63(53)59(72)49(39)47)65(55)61(51)74-62(52)66(56)76(64)78(68,83-76)79(74,77)88-69(81)80(74)16-13-9-11-14-10-7-8-12-15(14)16/h7-13H,1-6H3
【InChIKey】
InChIKey=ZGCHOOQSLVJOCL-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%11c1cccc2c1cccc2)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-IHYDRO-3'-(1-NAPHTHALENYL)-.cml