8,9-dihydro(C\{60}-I\{h})[5,6]fullerene-1,7-diol

Systemtic Name: 8,9-dihydro(C\{60}-I\{h})[5,6]fullerene-1,7-diol Openeye Name: 2,3-dihydro[60]fullerene-1,4-diol CAS Name: 8,9-dihydro(C\{60}-I\{h})[5,6]fullerene-1,7-diol IUPAC Name: 8,9-dihydro(C\{60}-I\{h})[5,6]fullerene-1,7-diol Traditional Name: 2,3-dihydrobuckminsterfullerene-1,4-diol Formula: C60H4O2 MolecularWeight: 756.67256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C12C3C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%14=C%15C%12=C9C7=C7C%15=C9C%12=C7C6=C6C5=C5C3(C3=C7C5=C5C6=C%12C6=C%12C9=C%14C9=C%12C%12=C%14C%15=C%16C(=C%11C(=C%10C1=C48)C1=C%16C(=C3C21O)C%14=C7C%12=C65)C%13=C9%15)O

Isomeric SMILES

C12C3C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%14=C%15C%12=C9C7=C7C%15=C9C%12=C7C6=C6C5=C5C3(C3=C7C5=C5C6=C%12C6=C%12C9=C%14C9=C%12C%12=C%14C%15=C%16C(=C%11C(=C%10C1=C48)C1=C%16C(=C3C21O)C%14=C7C%12=C65)C%13=C9%15)O

InChI

InChI=1S/C60H4O2/c61-59-53-45-36-29-16-9-3-4-6-2-1-5(3)14(16)20-18-7(1)11-8(2)19-21-15(6)17-10(4)13-12(9)23-31-24(13)33-30(17)37-35(21)39-26(19)28-22(11)27-25(18)38(34(20)36)49(53)51-40(27)41(28)52-50(39)54-46(37)43(33)48-44(31)47(42(45)32(23)29)55(59)56(48)60(54,62)58(52)57(51)59/h55-56,61-62H