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

Systemtic Name: 9-(diphenylmethyl)-1H-(C\{60}-I\{h})[5,6]fullerene Openeye Name: 2-benzhydryl-1H-[60]fullerene CAS Name: 9-(diphenylmethyl)-1H-(C\{60}-I\{h})[5,6]fullerene IUPAC Name: 9-benzhydryl-1H-(C\{60}-I\{h})[5,6]fullerene Traditional Name: 2-benzhydryl-1H-buckminsterfullerene Formula: C73H12 MolecularWeight: 888.87638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C34C5C6=C7C8=C9C1=C2C%10=C%11C%12=C%13C%14=C%15C%16=C%17C%18=C%19C%15=C%13C%13=C%11C%11=C2C2=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(=C3C(=C%17%11)C%16=C5C%14=C6C%12=C8%10)C3=C4C7=C9C(=C%193)C%15=C12

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C34C5C6=C7C8=C9C1=C2C%10=C%11C%12=C%13C%14=C%15C%16=C%17C%18=C%19C%15=C%13C%13=C%11C%11=C2C2=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(=C3C(=C%17%11)C%16=C5C%14=C6C%12=C8%10)C3=C4C7=C9C(=C%193)C%15=C12

InChI

InChI=1S/C73H12/c1-3-7-11(8-4-1)69(12-9-5-2-6-10-12)73-70-65-59-45-37-29-17-14-13-15-18(17)30-32-28-22(15)24-20-16(13)19-23-21(14)27-31(29)43(45)51-49-35(27)33(23)41-39-25(19)26(20)40-42-34(24)36(28)50-52-44(32)46(38(30)37)60(59)66(70)62(52)64-56(50)54(42)58-48(40)47(39)57-53(41)55(49)63(61(51)65)71(73)67(57)68(58)72(64)73/h1-10,69-70H