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

Systemtic Name: 9,12-dimethoxy-1,2-dihydro(C\{60}-I\{h})[5,6]fullerene Openeye Name: 2,5-dimethoxy-1,6-dihydro[60]fullerene CAS Name: 9,12-dimethoxy-1,2-dihydro(C\{60}-I\{h})[5,6]fullerene IUPAC Name: 9,12-dimethoxy-1,2-dihydro(C\{60}-I\{h})[5,6]fullerene Traditional Name: 2,5-dimethoxy-1,6-dihydrobuckminsterfullerene Formula: C62H8O2 MolecularWeight: 784.72572

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Descriptors Computed from Structure

Canonical SMILES:

COC12C3C4C5=C6C7=C8C9=C%10C%11=C%12C%13=C%14C%15=C%16C%13=C%10C8=C8C%16=C%10C%13=C8C7=C7C6=C6C4(C4=C8C6=C6C7=C%13C7=C%13C%10=C%15C%10=C%13C%13=C%15C%16=C%17C(=C%12C(=C%11C3=C59)C1=C%17C(=C24)C%15=C8C%13=C76)C%14=C%10%16)OC

Isomeric SMILES

COC12C3C4C5=C6C7=C8C9=C%10C%11=C%12C%13=C%14C%15=C%16C%13=C%10C8=C8C%16=C%10C%13=C8C7=C7C6=C6C4(C4=C8C6=C6C7=C%13C7=C%13C%10=C%15C%10=C%13C%13=C%15C%16=C%17C(=C%12C(=C%11C3=C59)C1=C%17C(=C24)C%15=C8C%13=C76)C%14=C%10%16)OC

InChI

InChI=1S/C62H8O2/c1-63-61-55-47-38-31-18-11-5-6-8-4-3-7(5)16(18)22-20-9(3)13-10(4)21-23-17(8)19-12(6)15-14(11)25-33-26(15)35-32(19)39-37(23)41-28(21)30-24(13)29-27(20)40(36(22)38)51(55)53-42(29)43(30)54-52(41)56-48(39)45(35)50-46(33)49(44(47)34(25)31)57(61)58(50)62(56,64-2)60(54)59(53)61/h57-58H,1-2H3