3-(9H-(C\{60}-I\{h})[5,6]fulleren-1-ylmethyl)furan

Systemtic Name: 3-(9H-(C\{60}-I\{h})[5,6]fulleren-1-ylmethyl)furan Openeye Name: 3-(2H-[60]fulleren-1-ylmethyl)furan CAS Name: 3-(9H-(C\{60}-I\{h})[5,6]fulleren-1-ylmethyl)furan IUPAC Name: 3-(9H-(C\{60}-I\{h})[5,6]fulleren-1-ylmethyl)furan Traditional Name: 3-(2H-buckminsterfulleren-1-ylmethyl)furan Formula: C65H6O MolecularWeight: 802.74254

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC=C1CC23C4C5=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

C1=COC=C1CC23C4C5=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/C65H6O/c1-2-66-4-5(1)3-65-62-58-52-38-30-22-10-7-6-8-11(10)23-25-21-15(8)17-13-9(6)12-16-14(7)20-24(22)36(38)44-42-28(20)26(16)34-32-18(12)19(13)33-35-27(17)29(21)43-45-37(25)39(31(23)30)53(52)59(62)55(45)57-49(43)47(35)51-41(33)40(32)50-46(34)48(42)56(54(44)58)63(65)60(50)61(51)64(57)65/h1-2,4,62H,3H2