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

Systemtic Name: sodium; (C\{60}-I\{h})[5,6]fulleren-1-ide; oxolane Openeye Name: sodium; [60]fulleren-1-ide; tetrahydrofuran CAS Name: sodium; (C\{60}-I\{h})[5,6]fulleren-1-ide; oxolane IUPAC Name: sodium; (C\{60}-I\{h})[5,6]fulleren-1-ide; oxolane Traditional Name: sodium; buckminsterfulleren-1-ide; tetrahydrofuran Formula: C80H40NaO5 MolecularWeight: 1104.16037

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.[C-]12C3=C4C5=C1C6=C7C8=C5C9=C1C4=C4C5=C3C3=C%10[C]2C2=C6C6=C%11C%12=C2C%10=C2C%10=C3C5=C3C5=C%13C%14=C(C1=C45)C1=C4C%14=C5C%14=C%15C(=C%10C3=C%13%14)C2=C%12C2=C%11C3=C(C4=C(C8=C91)C3=C76)C5=C2%15.[Na+]

Isomeric SMILES

C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.[C-]12C3=C4C5=C1C6=C7C8=C5C9=C1C4=C4C5=C3C3=C%10[C]2C2=C6C6=C%11C%12=C2C%10=C2C%10=C3C5=C3C5=C%13C%14=C(C1=C45)C1=C4C%14=C5C%14=C%15C(=C%10C3=C%13%14)C2=C%12C2=C%11C3=C(C4=C(C8=C91)C3=C76)C5=C2%15.[Na+]

InChI

InChI=1S/C60.5C4H8O.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;5*1-2-4-5-3-1;/h;5*1-4H2;/q-1;;;;;;+1