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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC12C3C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%14=C%15C%16=C%17C%18=C%19C%15=C%13C%13=C%11C%11=C9C9=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(=C1C(=C%17%11)C%16=C3C%14=C4C%12=C6%10)C1=C2C5=C7C(=C%191)C%15=C89

Isomeric SMILES

CCC12C3C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%14=C%15C%16=C%17C%18=C%19C%15=C%13C%13=C%11C%11=C9C9=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(=C1C(=C%17%11)C%16=C3C%14=C4C%12=C6%10)C1=C2C5=C7C(=C%191)C%15=C89

InChI

InChI=1S/C62H6/c1-2-62-59-55-49-35-27-19-7-4-3-5-8(7)20-22-18-12(5)14-10-6(3)9-13-11(4)17-21(19)33(35)41-39-25(17)23(13)31-29-15(9)16(10)30-32-24(14)26(18)40-42-34(22)36(28(20)27)50(49)56(59)52(42)54-46(40)44(32)48-38(30)37(29)47-43(31)45(39)53(51(41)55)60(62)57(47)58(48)61(54)62/h59H,2H2,1H3