8,25-dihydro(C\{70}-D\{5h(6)})[5,6]fullerene

Systemtic Name: 8,25-dihydro(C\{70}-D\{5h(6)})[5,6]fullerene Openeye Name: 1,2-dihydro[70-D\{5h}]fullerene CAS Name: 8,25-dihydro(C\{70}-D\{5h(6)})[5,6]fullerene IUPAC Name: 8,25-dihydro(C\{70}-D\{5h(6)})[5,6]fullerene Traditional Name: 1,2-dihydro[70]fullerene Formula: C70H2 MolecularWeight: 842.76488

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Descriptors Computed from Structure

Canonical SMILES:

C12C3C4=C5C6=C1C7=C8C9=C1C%10=C%11C%12=C%13C%14=C%15C%16=C%17C%18=C%19C%20=C%21C(=C3C3=C4C4=C%22C%23=C%24C(=C%19C%19=C%17C%17=C%25C%19=C%24C%19=C%24C%25=C(C%11=C%24C%11=C%10C(=C69)C5=C4C%11=C%22%19)C%13=C%15%17)C%21=C3%23)C3=C%20C4=C(C7=C23)C2=C8C(=C1%12)C%14=C2C%16=C4%18

Isomeric SMILES

C12C3C4=C5C6=C1C7=C8C9=C1C%10=C%11C%12=C%13C%14=C%15C%16=C%17C%18=C%19C%20=C%21C(=C3C3=C4C4=C%22C%23=C%24C(=C%19C%19=C%17C%17=C%25C%19=C%24C%19=C%24C%25=C(C%11=C%24C%11=C%10C(=C69)C5=C4C%11=C%22%19)C%13=C%15%17)C%21=C3%23)C3=C%20C4=C(C7=C23)C2=C8C(=C1%12)C%14=C2C%16=C4%18

InChI

InChI=1S/C70H2/c1-2-22-5-6-24-13-14-26-11-9-23-4-3(21(1)51-52(22)54(24)55(26)53(23)51)33-31(1)61-35-7-8-27-15-16-29-19-20-30-18-17-28-12-10(25(7)56-57(27)59(29)60(30)58(28)56)37(35)63(33)65-36(4)40(9)67(44(17)42(12)65)69-46(11)47(14)70(50(20)49(18)69)68-43(13)39(6)66(45(16)48(19)68)64-34(5)32(2)62(61)38(8)41(15)64/h21,51H