9-tridec-1-ynyl-1H-(C\{60}-I\{h})[5,6]fullerene

Systemtic Name: 9-tridec-1-ynyl-1H-(C\{60}-I\{h})[5,6]fullerene Openeye Name: 2-tridec-1-ynyl-1H-[60]fullerene CAS Name: 9-tridec-1-ynyl-1H-(C\{60}-I\{h})[5,6]fullerene IUPAC Name: 9-tridec-1-ynyl-1H-(C\{60}-I\{h})[5,6]fullerene Traditional Name: 2-tridec-1-ynyl-1H-buckminsterfullerene Formula: C73H24 MolecularWeight: 900.97166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC#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

CCCCCCCCCCCC#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/C73H24/c1-2-3-4-5-6-7-8-9-10-11-12-13-73-70-66-60-46-38-30-18-15-14-16-19(18)31-33-29-23(16)25-21-17(14)20-24-22(15)28-32(30)44(46)52-50-36(28)34(24)42-40-26(20)27(21)41-43-35(25)37(29)51-53-45(33)47(39(31)38)61(60)67(70)63(53)65-57(51)55(43)59-49(41)48(40)58-54(42)56(50)64(62(52)66)71(73)68(58)69(59)72(65)73/h70H,2-11H2,1H3