9,12-diphenyl-1,2-dihydro(C\{60}-I\{h})[5,6]fullerene

Systemtic Name: 9,12-diphenyl-1,2-dihydro(C\{60}-I\{h})[5,6]fullerene Openeye Name: 2,5-diphenyl-1,6-dihydro[60]fullerene CAS Name: 9,12-diphenyl-1,2-dihydro(C\{60}-I\{h})[5,6]fullerene IUPAC Name: 9,12-diphenyl-1,2-dihydro(C\{60}-I\{h})[5,6]fullerene Traditional Name: 2,5-diphenyl-1,6-dihydrobuckminsterfullerene Formula: C72H12 MolecularWeight: 876.86568

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C23C4C5C6=C7C8=C9C1=C%10C%11=C%12C%13=C%14C%15=C%16C%13=C%10C9=C9C%16=C%10C%13=C9C8=C8C7=C7C5(C5=C9C7=C7C8=C%13C8=C%13C%10=C%15C%10=C%13C%13=C%15C%16=C%17C(=C%12C(=C%11C4=C61)C2=C%17C(=C35)C%15=C9C%13=C87)C%14=C%10%16)C1=CC=CC=C1

Isomeric SMILES

C1=CC=C(C=C1)C23C4C5C6=C7C8=C9C1=C%10C%11=C%12C%13=C%14C%15=C%16C%13=C%10C9=C9C%16=C%10C%13=C9C8=C8C7=C7C5(C5=C9C7=C7C8=C%13C8=C%13C%10=C%15C%10=C%13C%13=C%15C%16=C%17C(=C%12C(=C%11C4=C61)C2=C%17C(=C35)C%15=C9C%13=C87)C%14=C%10%16)C1=CC=CC=C1

InChI

InChI=1S/C72H12/c1-3-7-11(8-4-1)71-65-57-48-41-28-21-15-16-18-14-13-17(15)26(28)32-30-19(13)23-20(14)31-33-27(18)29-22(16)25-24(21)35-43-36(25)45-42(29)49-47(33)51-38(31)40-34(23)39-37(30)50(46(32)48)61(65)63-52(39)53(40)64-62(51)66-58(49)55(45)60-56(43)59(54(57)44(35)41)67(71)68(60)72(66,70(64)69(63)71)12-9-5-2-6-10-12/h1-10,67-68H