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

Systemtic Name: 9H-(C\{60}-I\{h})[5,6]fulleren-1-ylmethyl-dimethyl-phenyl-silane Openeye Name: 2H-[60]fulleren-1-ylmethyl-dimethyl-phenyl-silane CAS Name: 9H-(C\{60}-I\{h})[5,6]fulleren-1-ylmethyl-dimethyl-phenylsilane IUPAC Name: 9H-(C\{60}-I\{h})[5,6]fulleren-1-ylmethyl-dimethyl-phenylsilane Traditional Name: 2H-buckminsterfulleren-1-ylmethyl-dimethyl-phenyl-silane Formula: C69H14Si MolecularWeight: 870.93496

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Descriptors Computed from Structure

Canonical SMILES:

C[Si](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)C1=CC=CC=C1

Isomeric SMILES

C[Si](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)C1=CC=CC=C1

InChI

InChI=1S/C69H14Si/c1-70(2,9-6-4-3-5-7-9)8-69-66-62-56-42-34-26-14-11-10-12-15(14)27-29-25-19(12)21-17-13(10)16-20-18(11)24-28(26)40(42)48-46-32(24)30(20)38-36-22(16)23(17)37-39-31(21)33(25)47-49-41(29)43(35(27)34)57(56)63(66)59(49)61-53(47)51(39)55-45(37)44(36)54-50(38)52(46)60(58(48)62)67(69)64(54)65(55)68(61)69/h3-7,66H,8H2,1-2H3