carbanide; carbon monoxide; 1,7,11,24,27-pentamethyl(C\{60}-I\{h})[5,6]fullerene; ruthenium(2+); triethylphosphane

Systemtic Name: carbanide; carbon monoxide; 1,7,11,24,27-pentamethyl(C\{60}-I\{h})[5,6]fullerene; ruthenium(2+); triethylphosphane Openeye Name: carbanide; carbon monoxide; 1,4,11,15,30-pentamethyl[60]fullerene; ruthenium(2+); triethylphosphane CAS Name: carbanide; carbon monoxide; 1,7,11,24,27-pentamethyl(C\{60}-I\{h})[5,6]fullerene; ruthenium(2+); triethylphosphine IUPAC Name: carbanide; carbon monoxide; 1,7,11,24,27-pentamethyl(C\{60}-I\{h})[5,6]fullerene; ruthenium(2+); triethylphosphane Traditional Name: carbanide; carbon monoxide; 1,4,11,15,30-pentamethylbuckminsterfullerene; ruthenium(2+); triethylphosphine Formula: C73H33OPRu+ MolecularWeight: 1058.086281

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Descriptors Computed from Structure

Canonical SMILES:

[CH3-].CCP(CC)CC.CC12C3=C4C5=C6C7=C8C9=C%10C%11=C%12C%13=C%10C%10=C%14C%15=C%13C%13=C%16C%15=C%15C%17=C%18C%19=C%20C(=C%14%17)C%10=C9C7=C%20C7=C6C4([C]4[C]1[C]1[C]([C]4C7%19C)C%18(C%15=C4C%16=C6C7=C9C(=C%10C%11=C8C5=C%10C3=C9C2=C6C41C)C%12=C%137)C)C.[C-]#[O+].[Ru+2]

Isomeric SMILES

[CH3-].CCP(CC)CC.CC12C3=C4C5=C6C7=C8C9=C%10C%11=C%12C%13=C%10C%10=C%14C%15=C%13C%13=C%16C%15=C%15C%17=C%18C%19=C%20C(=C%14%17)C%10=C9C7=C%20C7=C6C4([C]4[C]1[C]1[C]([C]4C7%19C)C%18(C%15=C4C%16=C6C7=C9C(=C%10C%11=C8C5=C%10C3=C9C2=C6C41C)C%12=C%137)C)C.[C-]#[O+].[Ru+2]

InChI

InChI=1S/C65H15.C6H15P.CO.CH3.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;1-4-7(5-2)6-3;1-2;;/h1-5H3;4-6H2,1-3H3;;1H3;/q;;;-1;+2