2-(9-oxidanyl(C\{60}-I\{h})[5,6]fulleren-1-yl)-N-prop-2-enyl-ethanamide

Systemtic Name: 2-(9-oxidanyl(C\{60}-I\{h})[5,6]fulleren-1-yl)-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-(2-hydroxy[60]fulleren-1-yl)acetamide CAS Name: 2-(9-hydroxy-1-(C\{60}-I\{h})[5,6]fullerenyl)-N-prop-2-enylacetamide IUPAC Name: 2-(9-hydroxy(C\{60}-I\{h})[5,6]fulleren-1-yl)-N-prop-2-enylacetamide Traditional Name: N-allyl-2-(2-hydroxybuckminsterfulleren-1-yl)acetamide Formula: C65H9NO2 MolecularWeight: 835.77246

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)CC12C3=C4C5=C6C7=C8C9=C%10C%11=C%12C%13=C9C7=C7C9=C%14C%15=C%16C(=C%139)C%12=C9C%12=C%11C%11=C%10C%10=C8C5=C5C%10=C8C%11=C%10C%12=C%11C9=C%16C9=C%15C%12=C(C1(C1=C%12C%14=C7C6=C41)O)C1=C9C%11=C4C%10=C8C(=C53)C2=C41

Isomeric SMILES

C=CCNC(=O)CC12C3=C4C5=C6C7=C8C9=C%10C%11=C%12C%13=C9C7=C7C9=C%14C%15=C%16C(=C%139)C%12=C9C%12=C%11C%11=C%10C%10=C8C5=C5C%10=C8C%11=C%10C%12=C%11C9=C%16C9=C%15C%12=C(C1(C1=C%12C%14=C7C6=C41)O)C1=C9C%11=C4C%10=C8C(=C53)C2=C41

InChI

InChI=1S/C65H9NO2/c1-2-3-66-5(67)4-64-60-52-44-34-24-16-8-6-7-10-14-12(8)20-28-22(14)32-26-18(10)19-11(7)15-13-9(6)17(16)25-31-21(13)29-23(15)33-27(19)37-36(26)48-42(32)50-40(28)46(38(44)30(20)24)54(60)56(50)62-58(48)59-49(37)43(33)51-41(29)47-39(31)45(35(25)34)53(52)61(64)55(47)57(51)63(59)65(62,64)68/h2,68H,1,3-4H2,(H,66,67)