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

Systemtic Name: 1-ethoxy(C\{60}-I\{h})[5,6]fullerene Openeye Name: 1-ethoxy[60]fullerene CAS Name: 1-ethoxy(C\{60}-I\{h})[5,6]fullerene IUPAC Name: 1-ethoxy(C\{60}-I\{h})[5,6]fullerene Traditional Name: 1-ethoxybuckminsterfullerene Formula: C62H5O MolecularWeight: 765.7025

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Descriptors Computed from Structure

Canonical SMILES:

CCOC12C3=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

CCOC12C3=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/C62H5O/c1-2-63-62-59-55-49-35-27-19-7-4-3-5-8(7)20-22-18-12(5)14-10-6(3)9-13-11(4)17-21(19)33(35)41-39-25(17)23(13)31-29-15(9)16(10)30-32-24(14)26(18)40-42-34(22)36(28(20)27)50(49)56(59)52(42)54-46(40)44(32)48-38(30)37(29)47-43(31)45(39)53(51(41)55)60(62)57(47)58(48)61(54)62/h2H2,1H3