9H-(C\{60}-I\{h})[5,6]fulleren-1-ylmethyl-(4-methoxyphenoxy)-dimethyl-silane

Systemtic Name: 9H-(C\{60}-I\{h})[5,6]fulleren-1-ylmethyl-(4-methoxyphenoxy)-dimethyl-silane Openeye Name: 2H-[60]fulleren-1-ylmethyl-(4-methoxyphenoxy)-dimethyl-silane CAS Name: 9H-(C\{60}-I\{h})[5,6]fulleren-1-ylmethyl-(4-methoxyphenoxy)-dimethylsilane IUPAC Name: 9H-(C\{60}-I\{h})[5,6]fulleren-1-ylmethyl-(4-methoxyphenoxy)-dimethylsilane Traditional Name: 2H-buckminsterfulleren-1-ylmethyl-(4-methoxyphenoxy)-dimethyl-silane Formula: C70H16O2Si MolecularWeight: 916.96034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)O[Si](C)(C)CC23C4C5=C6C7=C8C9=C1C%10=C%11C%12=C%13C%14=C%15C%16=C%17C%18=C%19C%15=C%13C%13=C%11C%11=C1C1=C%15C%20=C%11C%13=C%19C%11=C%20C%13=C%15C%15=C%19C%20=C%13C(=C%18%11)C%11=C%20C(=C2C(=C%17%11)C%16=C4C%14=C5C%12=C7%10)C2=C3C6=C8C(=C%192)C%15=C91

Isomeric SMILES

COC1=CC=C(C=C1)O[Si](C)(C)CC23C4C5=C6C7=C8C9=C1C%10=C%11C%12=C%13C%14=C%15C%16=C%17C%18=C%19C%15=C%13C%13=C%11C%11=C1C1=C%15C%20=C%11C%13=C%19C%11=C%20C%13=C%15C%15=C%19C%20=C%13C(=C%18%11)C%11=C%20C(=C2C(=C%17%11)C%16=C4C%14=C5C%12=C7%10)C2=C3C6=C8C(=C%192)C%15=C91

InChI

InChI=1S/C70H16O2Si/c1-71-9-4-6-10(7-5-9)72-73(2,3)8-70-67-63-57-43-35-27-15-12-11-13-16(15)28-30-26-20(13)22-18-14(11)17-21-19(12)25-29(27)41(43)49-47-33(25)31(21)39-37-23(17)24(18)38-40-32(22)34(26)48-50-42(30)44(36(28)35)58(57)64(67)60(50)62-54(48)52(40)56-46(38)45(37)55-51(39)53(47)61(59(49)63)68(70)65(55)66(56)69(62)70/h4-7,67H,8H2,1-3H3