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

Systemtic Name: 9H-(C\{60}-I\{h})[5,6]fulleren-1-ol Openeye Name: 2H-[60]fulleren-1-ol CAS Name: 9H-(C\{60}-I\{h})[5,6]fulleren-1-ol IUPAC Name: 9H-(C\{60}-I\{h})[5,6]fulleren-1-ol Traditional Name: 2H-buckminsterfulleren-1-ol Formula: C60H2O MolecularWeight: 738.65728

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Descriptors Computed from Structure

Canonical SMILES:

C12C3=C4C5=C6C7=C8C9=C%10C%11=C%12C%13=C%14C%15=C%16C%17=C%18C%14=C%12C%12=C%10C%10=C8C8=C%14C%19=C%10C%12=C%18C%10=C%19C%12=C%14C%14=C%18C%19=C%12C(=C%17%10)C%10=C%19C%12=C(C1(C1=C%12C%18=C(C%14=C78)C6=C41)O)C(=C%16%10)C%15=C2C%13=C3C%11=C59

Isomeric SMILES

C12C3=C4C5=C6C7=C8C9=C%10C%11=C%12C%13=C%14C%15=C%16C%17=C%18C%14=C%12C%12=C%10C%10=C8C8=C%14C%19=C%10C%12=C%18C%10=C%19C%12=C%14C%14=C%18C%19=C%12C(=C%17%10)C%10=C%19C%12=C(C1(C1=C%12C%18=C(C%14=C78)C6=C41)O)C(=C%16%10)C%15=C2C%13=C3C%11=C59

InChI

InChI=1S/C60H2O/c61-60-57-53-47-33-25-17-5-2-1-3-6(5)18-20-16-10(3)12-8-4(1)7-11-9(2)15-19(17)31(33)39-37-23(15)21(11)29-27-13(7)14(8)28-30-22(12)24(16)38-40-32(20)34(26(18)25)48(47)54(57)50(40)52-44(38)42(30)46-36(28)35(27)45-41(29)43(37)51(49(39)53)58(60)55(45)56(46)59(52)60/h57,61H