9-(1-adamantyl)-1H-(C\{60}-I\{h})[5,6]fullerene

Systemtic Name: 9-(1-adamantyl)-1H-(C\{60}-I\{h})[5,6]fullerene Openeye Name: 2-(1-adamantyl)-1H-[60]fullerene CAS Name: 9-(1-adamantyl)-1H-(C\{60}-I\{h})[5,6]fullerene IUPAC Name: 9-(1-adamantyl)-1H-(C\{60}-I\{h})[5,6]fullerene Traditional Name: 2-(1-adamantyl)-1H-buckminsterfullerene Formula: C70H16 MolecularWeight: 856.87604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C45C6C7=C8C9=C1C2=C3C%10=C%11C%12=C%13C%14=C%15C%16=C%17C%18=C%19C%15=C%13C%13=C%11C%11=C3C3=C%15C%20=C%11C%13=C%19C%11=C%20C%13=C%15C%15=C%19C%20=C%13C(=C%18%11)C%11=C%20C(=C4C(=C%17%11)C%16=C6C%14=C7C%12=C9%10)C4=C5C8=C1C(=C%194)C%15=C23

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C45C6C7=C8C9=C1C2=C3C%10=C%11C%12=C%13C%14=C%15C%16=C%17C%18=C%19C%15=C%13C%13=C%11C%11=C3C3=C%15C%20=C%11C%13=C%19C%11=C%20C%13=C%15C%15=C%19C%20=C%13C(=C%18%11)C%11=C%20C(=C4C(=C%17%11)C%16=C6C%14=C7C%12=C9%10)C4=C5C8=C1C(=C%194)C%15=C23

InChI

InChI=1S/C70H16/c1-7-2-9-3-8(1)5-69(4-7,6-9)70-66-62-56-42-34-26-14-11-10-12-15(14)27-29-25-19(12)21-17-13(10)16-20-18(11)24-28(26)40(42)48-46-32(24)30(20)38-36-22(16)23(17)37-39-31(21)33(25)47-49-41(29)43(35(27)34)57(56)63(66)59(49)61-53(47)51(39)55-45(37)44(36)54-50(38)52(46)60(58(48)62)67(70)64(54)65(55)68(61)70/h7-9,66H,1-6H2