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

Systemtic Name: sodium 1H-(C\{60}-I\{h})[5,6]fulleren-9-ide Openeye Name: sodium 1H-[60]fulleren-2-ide CAS Name: sodium 1H-(C\{60}-I\{h})[5,6]fulleren-9-ide IUPAC Name: sodium 1H-(C\{60}-I\{h})[5,6]fulleren-9-ide Traditional Name: sodium 1H-buckminsterfulleren-2-ide Formula: C60HNa MolecularWeight: 744.63971

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Descriptors Computed from Structure

Canonical SMILES:

C12[C-]3C4=C5C6=C3C7=C8C9=C3C%10=C%11C%12=C3C3=C%13C(=C%14C5=C5C%15=C4C4=C1C1=C%16C%17=C4C%15=C4C%15=C%18C%19=C4C5=C%14C4=C%19C(=C5C%18=C%14C(=C%17%15)C%16=C%15C%16=C1C2=C7C9=C%16C%10=C%15C%14=C%115)C%12=C%134)C6=C83.[Na+]

Isomeric SMILES

C12[C-]3C4=C5C6=C3C7=C8C9=C3C%10=C%11C%12=C3C3=C%13C(=C%14C5=C5C%15=C4C4=C1C1=C%16C%17=C4C%15=C4C%15=C%18C%19=C4C5=C%14C4=C%19C(=C5C%18=C%14C(=C%17%15)C%16=C%15C%16=C1C2=C7C9=C%16C%10=C%15C%14=C%115)C%12=C%134)C6=C83.[Na+]

InChI

InChI=1S/C60H.Na/c1-2-5-6-3(1)8-12-10-4(1)9-11-7(2)17-21-13(5)23-24-14(6)22-18(8)28-20(12)30-26-16(10)15(9)25-29-19(11)27(17)37-41-31(21)33(23)43-44-34(24)32(22)42-38(28)48-40(30)46-36(26)35(25)45-39(29)47(37)55-49(41)51(43)57-52(44)50(42)56(48)59-54(46)53(45)58(55)60(57)59;/h1H;/q-1;+1