carbon monoxide; ethynylbenzene; 6,9,12,15,18-pentamethyl-2,3,4,5-tetrahydro-1H-(C\{60}-I\{h})[5,6]fullerene; ruthenium(2+)

Systemtic Name: carbon monoxide; ethynylbenzene; 6,9,12,15,18-pentamethyl-2,3,4,5-tetrahydro-1H-(C\{60}-I\{h})[5,6]fullerene; ruthenium(2+) Openeye Name: carbon monoxide; ethynylbenzene; 2,5,10,21,24-pentamethyl-6,7,8,9-tetrahydro-1H-[60]fullerene; ruthenium(2+) CAS Name: carbon monoxide; ethynylbenzene; 6,9,12,15,18-pentamethyl-2,3,4,5-tetrahydro-1H-(C\{60}-I\{h})[5,6]fullerene; ruthenium(2+) IUPAC Name: carbon monoxide; ethynylbenzene; 6,9,12,15,18-pentamethyl-2,3,4,5-tetrahydro-1H-(C\{60}-I\{h})[5,6]fullerene; ruthenium(2+) Traditional Name: carbon monoxide; ethynylbenzene; 2,5,10,21,24-pentamethyl-6,7,8,9-tetrahydro-1H-buckminsterfullerene; ruthenium(2+) Formula: C75H25O2Ru+ MolecularWeight: 1059.0698

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Descriptors Computed from Structure

Canonical SMILES:

CC12C3C4C5C6C3C7(C8=C1C9=C1C2=C2C4(C3=C4C5(C5=C%10C4=C4C%11=C%12C%10=C%10C%13=C%12C%12=C%14C%15=C%16C%12=C%11C%11=C4C3=C2C2=C1C(=C1C%15=C3C4=C%12C(=C%15C%10=C5C6(C%15=C7C%12=C8C3=C19)C)C%13=C%144)C%16=C%112)C)C)C.[C-]#CC1=CC=CC=C1.[C-]#[O+].[C-]#[O+].[Ru+2]

Isomeric SMILES

CC12C3C4C5C6C3C7(C8=C1C9=C1C2=C2C4(C3=C4C5(C5=C%10C4=C4C%11=C%12C%10=C%10C%13=C%12C%12=C%14C%15=C%16C%12=C%11C%11=C4C3=C2C2=C1C(=C1C%15=C3C4=C%12C(=C%15C%10=C5C6(C%15=C7C%12=C8C3=C19)C)C%13=C%144)C%16=C%112)C)C)C.[C-]#CC1=CC=CC=C1.[C-]#[O+].[C-]#[O+].[Ru+2]

InChI

InChI=1S/C65H20.C8H5.2CO.Ru/c1-61-46-36-26-16-11-6-7-9-10-8(6)13-20-18(11)28(26)38-40-30(20)32-22(13)24-15(10)25-23-14(9)21-19-12(7)17(16)27-29(19)39-41-31(21)33(23)43-45-35(25)34(24)44-42(32)52-50(40)62(2,48(38)46)57-56(61)58-60-59(57)64(52,4)54(44)55(45)65(60,5)53(43)51(41)63(58,3)49(39)47(61)37(27)36;1-2-8-6-4-3-5-7-8;2*1-2;/h56-60H,1-5H3;3-7H;;;/q;-1;;;+2