9-naphthalen-2-yl-1H-(C\{60}-I\{h})[5,6]fullerene

Systemtic Name: 9-naphthalen-2-yl-1H-(C\{60}-I\{h})[5,6]fullerene Openeye Name: 2-(2-naphthyl)-1H-[60]fullerene CAS Name: 9-(2-naphthalenyl)-1H-(C\{60}-I\{h})[5,6]fullerene IUPAC Name: 9-naphthalen-2-yl-1H-(C\{60}-I\{h})[5,6]fullerene Traditional Name: 2-(2-naphthyl)-1H-buckminsterfullerene Formula: C70H8 MolecularWeight: 848.81252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C34C5C6=C7C8=C9C1=C2C%10=C%11C%12=C%13C%14=C%15C%16=C%17C%18=C%19C%15=C%13C%13=C%11C%11=C2C2=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(=C3C(=C%17%11)C%16=C5C%14=C6C%12=C8%10)C3=C4C7=C9C(=C%193)C%15=C12

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C34C5C6=C7C8=C9C1=C2C%10=C%11C%12=C%13C%14=C%15C%16=C%17C%18=C%19C%15=C%13C%13=C%11C%11=C2C2=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(=C3C(=C%17%11)C%16=C5C%14=C6C%12=C8%10)C3=C4C7=C9C(=C%193)C%15=C12

InChI

InChI=1S/C70H8/c1-2-4-9-7-10(6-5-8(9)3-1)70-67-63-57-43-35-27-15-12-11-13-16(15)28-30-26-20(13)22-18-14(11)17-21-19(12)25-29(27)41(43)49-47-33(25)31(21)39-37-23(17)24(18)38-40-32(22)34(26)48-50-42(30)44(36(28)35)58(57)64(67)60(50)62-54(48)52(40)56-46(38)45(37)55-51(39)53(47)61(59(49)63)68(70)65(55)66(56)69(62)70/h1-7,67H