904677-25-4
[5,6]FULLEREN-C60-1H-1(6H)-OL,9-CHLORO-6,12,15,18-TETRAKIS [(1,1-DIMETHYLETHYL)DIOXY]-9,12,15,18-TETRAHYDRO-
Name[5,6]FULLEREN-C60-1H-1(6H)-OL,9-CHLORO-6,12,15,18-TETRAKIS [(1,1-DIMETHYLETHYL)DIOXY]-9,12,15,18-TETRAHYDRO-
1Identification
【Name】
[5,6]FULLEREN-C60-1H-1(6H)-OL,9-CHLORO-6,12,15,18-TETRAKIS [(1,1-DIMETHYLETHYL)DIOXY]-9,12,15,18-TETRAHYDRO-
【CAS】
【MDL】
MFCD11975263
【English Synonyms】
【Formula】
C76 H37 Cl O9
【MolWeight】
1129.57
【Inchi】
InChI=1S/C76H37ClO9/c1-67(2,3)79-83-71-53-43-33-23-18-13-14-16-17-15(13)20-26-24(18)34(33)44-46-36(26)38-28(20)30-22(17)32-31-21(16)29-27-19(14)25(23)35-37(27)47-49-39(29)41(31)51-52-42(32)40(30)50-48(38)58-56(46)72(54(44)53,84-80-68(4,5)6)64-63(71)65-73(85-81-69(7,8)9,57(47)55(71)45(35)43)59(49)61(51)75(77)62(52)60(50)74(58,66(64)76(65,75)78)86-82-70(10,11)12/h78H,1-12H3
【InChIKey】
InChIKey=WFWOAUQCEPMPCI-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OOC12c3c4c5c6c7c8c9c%10c%11c8c8c%12c7c5c5c3C3(c7c5c%12c5c8c8c%11c%11c%12c%10c%10c%13c9c6c6c%13c9c%13c%10c%12c%10c%12c%11c8c8c5c7C5(c8c%12C7(c%10c%13C(c9c1c64)(C1=C2C3=C5C17O)OOC(C)(C)C)Cl)OOC(C)(C)C)OOC(C)(C)C
【MOL File】
[5,6]FULLEREN-C60-1H….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
[5,6]FULLEREN-C60-1H-1(6H)-OL,9-CHLORO-6,12,15,18-TETRAKIS [(1,1-DIMETHYLETHYL)DIOXY]-9,12,15,18-TETRAHYDRO-.cml