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

Systemtic Name: 9-oxidanyl(C\{60}-I\{h})[5,6]fullerene-1-carbonitrile Openeye Name: 2-hydroxy[60]fullerene-1-carbonitrile CAS Name: 9-hydroxy-1-(C\{60}-I\{h})[5,6]fullerenecarbonitrile IUPAC Name: 9-hydroxy(C\{60}-I\{h})[5,6]fullerene-1-carbonitrile Traditional Name: 2-hydroxybuckminsterfullerene-1-carbonitrile Formula: C61HNO MolecularWeight: 763.66674

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Descriptors Computed from Structure

Canonical SMILES:

C(#N)C12C3=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)O)C1=C9C%11=C4C%10=C8C(=C53)C2=C41

Isomeric SMILES

C(#N)C12C3=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)O)C1=C9C%11=C4C%10=C8C(=C53)C2=C41

InChI

InChI=1S/C61HNO/c62-1-60-56-48-40-30-20-12-4-2-3-6-10-8(4)16-24-18(10)28-22-14(6)15-7(3)11-9-5(2)13(12)21-27-17(9)25-19(11)29-23(15)33-32(22)44-38(28)46-36(24)42(34(40)26(16)20)50(56)52(46)58-54(44)55-45(33)39(29)47-37(25)43-35(27)41(31(21)30)49(48)57(60)51(43)53(47)59(55)61(58,60)63/h63H