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

Systemtic Name: 3-(9H-(C\{60}-I\{h})[5,6]fulleren-1-yl)cyclopentan-1-one Openeye Name: 3-(2H-[60]fulleren-1-yl)cyclopentanone CAS Name: 3-(9H-(C\{60}-I\{h})[5,6]fulleren-1-yl)-1-cyclopentanone IUPAC Name: 3-(9H-(C\{60}-I\{h})[5,6]fulleren-1-yl)cyclopentan-1-one Traditional Name: 3-(2H-buckminsterfulleren-1-yl)cyclopentanone Formula: C65H8O MolecularWeight: 804.75842

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CC1C23C4C5=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

C1CC(=O)CC1C23C4C5=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/C65H8O/c66-5-2-1-4(3-5)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/h4,62H,1-3H2