1-propan-2-yloxy(C\{60}-I\{h})[5,6]fullerene

Systemtic Name: 1-propan-2-yloxy(C\{60}-I\{h})[5,6]fullerene Openeye Name: 1-isopropoxy[60]fullerene CAS Name: 1-propan-2-yloxy(C\{60}-I\{h})[5,6]fullerene IUPAC Name: 1-propan-2-yloxy(C\{60}-I\{h})[5,6]fullerene Traditional Name: 1-isopropoxybuckminsterfullerene Formula: C63H7O MolecularWeight: 779.72908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC12C3=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

CC(C)OC12C3=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/C63H7O/c1-3(2)64-63-60-56-50-36-28-20-8-5-4-6-9(8)21-23-19-13(6)15-11-7(4)10-14-12(5)18-22(20)34(36)42-40-26(18)24(14)32-30-16(10)17(11)31-33-25(15)27(19)41-43-35(23)37(29(21)28)51(50)57(60)53(43)55-47(41)45(33)49-39(31)38(30)48-44(32)46(40)54(52(42)56)61(63)58(48)59(49)62(55)63/h3H,1-2H3