Product Name :
Fullerene – C76
Specifications & Purity :
≥98%
CAS :
135113-15-4
Formula:
C76
Molecular Weight :
912.84
MDL number:
MFCD00283287
Synonyms :
Shipped In:
IUPAC Name :
nonatriacontacyclo[17.7.7.713,27.729,30.617,33.13,12.14,7.19,20.05,26.06,23.08,21.010,14.022,32.024,31.025,28.715,37.735,48.650,52.02,49.011,56.016,54.018,36.034,40.038,73.039,76.041,69.042,46.043,67.044,64.045,47.051,55.053,75.057,62.058,74.059,72.060,65.061,63.066,71.068,70]hexaheptaconta-1,3,5(26),6,8,10(14),11(56),12,15(76),16(54),17,19,21,23,25(28),27(47),29,31,33,35,37(70),38,40,42,44(64),45,48(63),49,51(55),52(57),53(75),58,60(65),61,66,68,71,73-octatriacontaene
INCHI :
InChI=1S/C76/c1-5-17-37-25-9(1)33-30-14-2-6-18-39-26-10(2)34-29(13(1)14)41-21(5)49-45(17)46-19-7-3-11-27-38(19)62(49)74-56(27)72-60-36(11)32-16-4-8-20-40-28-12(4)35-31(15(3)16)43-23(7)50(46)61(37)73-53(25)69-57(33)66-42(30)22(6)51(63(40)75(66)55(28)71(69)59(35)67(43)73)47(18)48(20)52-24(8)44(32)68(60)76(64(39)52)54(26)70(72)58(34)65(41)74
InChi Key:
DEJYFPHYOINFQD-UHFFFAOYSA-N
Canonical SMILES:
C12=C3C4=C5C6=C1C7=C8C2=C9C1=C2C%10=C%11C(=C13)C1=C4C3=C4C%12=C%13C3=C5C3=C6C5=C7C6=C7C5=C5C3=C%13C3=C%13C%12=C%12C%14=C%15C%16=C%17C%18=C%19C%20=C%16C(=C%13%14)C(=C35)C7=C%20C3=C%19C5=C7C%18=C%13C%17=C%14C%15=C%15C%12=C4C1=C%11C%15=C%14C%10=C%13C2=C7C9=C5C8=C63
Isomeric SMILES:
C12=C3C4=C5C6=C1C7=C8C2=C9C1=C2C%10=C%11C(=C13)C1=C4C3=C4C%12=C%13C3=C5C3=C6C5=C7C6=C7C5=C5C3=C%13C3=C%13C%12=C%12C%14=C%15C%16=C%17C%18=C%19C%20=C%16C(=C%13%14)C(=C35)C7=C%20C3=C%19C5=C7C%18=C%13C%17=C%14C%15=C%15C%12=C4C1=C%11C%15=C%14C%10=C%13C2=C7C9=C5C8=C63
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