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

Systemtic Name: 1-methoxy(C\{60}-I\{h})[5,6]fullerene Openeye Name: 1-methoxy[60]fullerene CAS Name: 1-methoxy(C\{60}-I\{h})[5,6]fullerene IUPAC Name: 1-methoxy(C\{60}-I\{h})[5,6]fullerene Traditional Name: 1-methoxybuckminsterfullerene Formula: C61H3O MolecularWeight: 751.67592

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Descriptors Computed from Structure

Canonical SMILES:

COC12C3=C4C5=C6C7=C8C5=C9C5=C%10C%11=C%12C%13=C%14C%15=C%16C%17=C%18C%19=C%15C%15=C%13C%11=C%11C5=C8C5=C8C7=C7C(=C%18C%13=C%17C%17=C%18C%16=C%14C%14=C%12C%12=C(C%14=C%18[C]1C%17=C1C%13=C7C6=C13)C2=C4C9=C%10%12)C8=C%19C%15=C5%11

Isomeric SMILES

COC12C3=C4C5=C6C7=C8C5=C9C5=C%10C%11=C%12C%13=C%14C%15=C%16C%17=C%18C%19=C%15C%15=C%13C%11=C%11C5=C8C5=C8C7=C7C(=C%18C%13=C%17C%17=C%18C%16=C%14C%14=C%12C%12=C(C%14=C%18[C]1C%17=C1C%13=C7C6=C13)C2=C4C9=C%10%12)C8=C%19C%15=C5%11

InChI

InChI=1S/C61H3O/c1-62-61-58-54-48-34-26-18-6-3-2-4-7(6)19-21-17-11(4)13-9-5(2)8-12-10(3)16-20(18)32(34)40-38-24(16)22(12)30-28-14(8)15(9)29-31-23(13)25(17)39-41-33(21)35(27(19)26)49(48)55(58)51(41)53-45(39)43(31)47-37(29)36(28)46-42(30)44(38)52(50(40)54)59(61)56(46)57(47)60(53)61/h1H3