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

Systemtic Name: (C\{60}-I\{h})[5,6]fullerene-1,9-diol Openeye Name: [60]fullerene-1,2-diol CAS Name: (C\{60}-I\{h})[5,6]fullerene-1,9-diol IUPAC Name: (C\{60}-I\{h})[5,6]fullerene-1,9-diol Traditional Name: buckminsterfullerene-1,2-diol Formula: C60H2O2 MolecularWeight: 754.65668

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Descriptors Computed from Structure

Canonical SMILES:

C12=C3C4=C5C6=C1C7=C8C2=C9C1=C3C2=C4C3=C4C%10=C2C2=C1C1=C9C9=C8C8=C%11C7=C7C6=C6C5=C3C3=C4C4=C5C%12=C3C6=C3C7=C%11C6=C7C8=C9C8=C1C1=C9C8=C7C(C6=C3%12)(C5(C9=C4C%10=C21)O)O

Isomeric SMILES

C12=C3C4=C5C6=C1C7=C8C2=C9C1=C3C2=C4C3=C4C%10=C2C2=C1C1=C9C9=C8C8=C%11C7=C7C6=C6C5=C3C3=C4C4=C5C%12=C3C6=C3C7=C%11C6=C7C8=C9C8=C1C1=C9C8=C7C(C6=C3%12)(C5(C9=C4C%10=C21)O)O

InChI

InChI=1S/C60H2O2/c61-59-55-47-39-29-19-11-3-1-2-5-9-7(3)15-23-17(9)27-21-13(5)14-6(2)10-8-4(1)12(11)20-26-16(8)24-18(10)28-22(14)32-31(21)41-35(27)45-37(23)43(33(39)25(15)19)51(55)53(45)57-49(41)50-42(32)36(28)46-38(24)44-34(26)40(30(20)29)48(47)56(59)52(44)54(46)58(50)60(57,59)62/h61-62H