1,6,9,12,15,18-hexakis(prop-2-enyl)(C\{60}-I\{h})[5,6]fullerene

Systemtic Name: 1,6,9,12,15,18-hexakis(prop-2-enyl)(C\{60}-I\{h})[5,6]fullerene Openeye Name: 1,2,4,11,15,30-hexaallyl[60]fullerene CAS Name: 1,6,9,12,15,18-hexakis(prop-2-enyl)(C\{60}-I\{h})[5,6]fullerene IUPAC Name: 1,6,9,12,15,18-hexakis(prop-2-enyl)(C\{60}-I\{h})[5,6]fullerene Traditional Name: 1,2,4,11,15,30-hexaallylbuckminsterfullerene Formula: C78H30 MolecularWeight: 967.0728

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC12C3=C4C5=C6C7=C8C9=C%10C%11=C%12C%13=C%14C%10=C7C7=C%14C%10=C%14C(=C75)C4(C4=C5C%14(C7=C%14C%15=C%16C%17=C%18C%19=C%20C(=C%21C8=C6C3=C3C%21=C%20C6=C%18C8=C%16C%14(C5(C(=C41)C8(C6=C23)CC=C)CC=C)CC=C)C9=C%11C%19=C%17C%12=C%15C%13=C%107)CC=C)CC=C

Isomeric SMILES

C=CCC12C3=C4C5=C6C7=C8C9=C%10C%11=C%12C%13=C%14C%10=C7C7=C%14C%10=C%14C(=C75)C4(C4=C5C%14(C7=C%14C%15=C%16C%17=C%18C%19=C%20C(=C%21C8=C6C3=C3C%21=C%20C6=C%18C8=C%16C%14(C5(C(=C41)C8(C6=C23)CC=C)CC=C)CC=C)C9=C%11C%19=C%17C%12=C%15C%13=C%107)CC=C)CC=C

InChI

InChI=1S/C78H30/c1-7-13-73-59-49-39-29-24-19-20-22-23-21(19)26-32-30(24)40(39)50-52-42(32)44-34(26)36-28(23)38-37-27(22)35-33-25(20)31(29)41-43(33)53-55-45(35)47(37)57-58-48(38)46(36)56-54(44)64-62(52)74(14-8-2,60(50)59)70-69(73)71-75(15-9-3,63(53)61(73)51(41)49)65(55)67(57)77(17-11-5)68(58)66(56)76(64,16-10-4)72(70)78(71,77)18-12-6/h7-12H,1-6,13-18H2