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

Systemtic Name: 1,9-dimethyl(C\{60}-I\{h})[5,6]fullerene Openeye Name: 1,2-dimethyl[60]fullerene CAS Name: 1,9-dimethyl(C\{60}-I\{h})[5,6]fullerene IUPAC Name: 1,9-dimethyl(C\{60}-I\{h})[5,6]fullerene Traditional Name: 1,2-dimethylbuckminsterfullerene Formula: C62H6 MolecularWeight: 750.71104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12C3=C4C5=C6C7=C8C9=C%10C%11=C%12C%13=C9C7=C7C9=C%14C%15=C%16C(=C%139)C%12=C9C%12=C%11C%11=C%10C%10=C8C5=C5C%10=C8C%11=C%10C%12=C%11C9=C%16C9=C%15C%12=C(C1(C1=C%12C%14=C7C6=C41)C)C1=C9C%11=C4C%10=C8C(=C53)C2=C41

Isomeric SMILES

CC12C3=C4C5=C6C7=C8C9=C%10C%11=C%12C%13=C9C7=C7C9=C%14C%15=C%16C(=C%139)C%12=C9C%12=C%11C%11=C%10C%10=C8C5=C5C%10=C8C%11=C%10C%12=C%11C9=C%16C9=C%15C%12=C(C1(C1=C%12C%14=C7C6=C41)C)C1=C9C%11=C4C%10=C8C(=C53)C2=C41

InChI

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