1,7-dimethyl(C\{60}-I\{h})[5,6]fullerene

Systemtic Name: 1,7-dimethyl(C\{60}-I\{h})[5,6]fullerene Openeye Name: 1,4-dimethyl[60]fullerene CAS Name: 1,7-dimethyl(C\{60}-I\{h})[5,6]fullerene IUPAC Name: 1,7-dimethyl(C\{60}-I\{h})[5,6]fullerene Traditional Name: 1,4-dimethylbuckminsterfullerene Formula: C62H6 MolecularWeight: 750.71104

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Descriptors Computed from Structure

Canonical SMILES:

CC12C3=C4C5=C6C7=C8C9=C%10C%11=C%12C%13=C%14C%10=C8C8=C6C6=C%10C8=C%14C8=C%14C%10=C(C1=C64)C1(C%14=C4C(=C%138)C6=C%12C8=C%10C%12=C%13C(=C%118)C9=C8C%13=C9C%11=C%12C%12=C%10C6=C4C4=C%12C(=C%11C3=C9C5=C87)C2=C41)C

Isomeric SMILES

CC12C3=C4C5=C6C7=C8C9=C%10C%11=C%12C%13=C%14C%10=C8C8=C6C6=C%10C8=C%14C8=C%14C%10=C(C1=C64)C1(C%14=C4C(=C%138)C6=C%12C8=C%10C%12=C%13C(=C%118)C9=C8C%13=C9C%11=C%12C%12=C%10C6=C4C4=C%12C(=C%11C3=C9C5=C87)C2=C41)C

InChI

InChI=1S/C62H6/c1-61-55-47-38-31-18-11-5-6-8-4-3-7(5)16(18)22-20-9(3)13-10(4)21-23-17(8)19-12(6)15-14(11)25-33-26(15)35-32(19)39-37(23)41-28(21)30-24(13)29-27(20)40(36(22)38)51(55)53-42(29)43(30)54-52(41)56-48(39)45(35)50-46(33)49(44(47)34(25)31)57(61)58(50)62(56,2)60(54)59(53)61/h1-2H3