9H-(C\{60}-I\{h})[5,6]fulleren-1-ylmethyl-dimethyl-propan-2-yloxy-silane

Systemtic Name: 9H-(C\{60}-I\{h})[5,6]fulleren-1-ylmethyl-dimethyl-propan-2-yloxy-silane Openeye Name: 2H-[60]fulleren-1-ylmethyl-isopropoxy-dimethyl-silane CAS Name: 9H-(C\{60}-I\{h})[5,6]fulleren-1-ylmethyl-dimethyl-propan-2-yloxysilane IUPAC Name: 9H-(C\{60}-I\{h})[5,6]fulleren-1-ylmethyl-dimethyl-propan-2-yloxysilane Traditional Name: 2H-buckminsterfulleren-1-ylmethyl-isopropoxy-dimethyl-silane Formula: C66H16OSi MolecularWeight: 852.91814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)O[Si](C)(C)CC12C3C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%14=C%15C%16=C%17C%18=C%19C%15=C%13C%13=C%11C%11=C9C9=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(=C1C(=C%17%11)C%16=C3C%14=C4C%12=C6%10)C1=C2C5=C7C(=C%191)C%15=C89

Isomeric SMILES

CC(C)O[Si](C)(C)CC12C3C4=C5C6=C7C8=C9C%10=C%11C%12=C%13C%14=C%15C%16=C%17C%18=C%19C%15=C%13C%13=C%11C%11=C9C9=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(=C1C(=C%17%11)C%16=C3C%14=C4C%12=C6%10)C1=C2C5=C7C(=C%191)C%15=C89

InChI

InChI=1S/C66H16OSi/c1-6(2)67-68(3,4)5-66-63-59-53-39-31-23-11-8-7-9-12(11)24-26-22-16(9)18-14-10(7)13-17-15(8)21-25(23)37(39)45-43-29(21)27(17)35-33-19(13)20(14)34-36-28(18)30(22)44-46-38(26)40(32(24)31)54(53)60(63)56(46)58-50(44)48(36)52-42(34)41(33)51-47(35)49(43)57(55(45)59)64(66)61(51)62(52)65(58)66/h6,63H,5H2,1-4H3