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1,2,7,23,28,35,40,51-octakis[1,1,2,2,2-pentakis(fluoranyl)ethyl](C\{60}-I\{h})[5,6]fullerene

Systemtic Name:	1,2,7,23,28,35,40,51-octakis[1,1,2,2,2-pentakis(fluoranyl)ethyl](C\{60}-I\{h})[5,6]fullerene
Openeye Name:	1,3,11,16,34,38,57,58-octakis(1,1,2,2,2-pentafluoroethyl)[60]fullerene
CAS Name:	1,2,7,23,28,35,40,51-octakis(1,1,2,2,2-pentafluoroethyl)(C\{60}-I\{h})[5,6]fullerene
IUPAC Name:	1,2,7,23,28,35,40,51-octakis(1,1,2,2,2-pentafluoroethyl)(C\{60}-I\{h})[5,6]fullerene
Traditional Name:	1,3,11,16,34,38,57,58-octakis(1,1,2,2,2-pentafluoroethyl)buckminsterfullerene
Formula:	C₇₆F₄₀
MolecularWeight:	1672.749328

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Descriptors Computed from Structure

Canonical SMILES:

C12=C3C4=C5C1=C6C7=C8C9=C1C%10=C%11C9=C9C7=C5C5(C9(C7=C%11C9=C%11C%10=C%10C%12=C1C1=C%13C%12(C%12=C%14C%10(C%11(C%10=C%11C%14=C%14C%12=C%12C%13(C(=C6C81C(C(F)(F)F)(F)F)C2=C%12C1=C%14C2(C%11=C6C%10=C9C7=C7C6=C(C4=C75)C2=C31)C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F)C(C(F)(F)F)(F)F

Isomeric SMILES

InChI

InChI=1S/C76F40/c77-61(78,69(93,94)95)53-34-11-1-2-5-10-4(1)15-13(34)8-14-18-9-20-19(8)39(15)57(65(85,86)73(105,106)107)41(10)33-26-23(5)45-46-22(2)25-24(11)36(53)27-28-31(37(14)53)43(18)59(67(89,90)75(111,112)113)42-21(9)17-6-3-7-12(16(6)44(33)58(57,40(17)20)66(87,88)74(108,109)110)35(26)54(45,62(79,80)70(96,97)98)51-30(7)47-50(29(3)42)60(59,68(91,92)76(114,115)116)49(28)48-32(27)38(25)55(46,63(81,82)71(99,100)101)52(51)56(47,48)64(83,84)72(102,103)104

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