2-isocyano-2-methyl-propane; 2-methylpropane-2-thiolate; molybdenum(4+); 2-phenylethynylbenzene

Systemtic Name: 2-isocyano-2-methyl-propane; 2-methylpropane-2-thiolate; molybdenum(4+); 2-phenylethynylbenzene Openeye Name: 2-isocyano-2-methyl-propane; 2-methylpropane-2-thiolate; molybdenum(4+); 2-phenylethynylbenzene CAS Name: 2-isocyano-2-methylpropane; 2-methyl-2-propanethiolate; molybdenum(4+); 2-phenylethynylbenzene IUPAC Name: 2-isocyano-2-methylpropane; 2-methylpropane-2-thiolate; molybdenum(4+); 2-phenylethynylbenzene Traditional Name: 2-isocyano-2-methyl-propane; 2-methylpropane-2-thiolate; molybdenum(4+); 2-phenylethynylbenzene Formula: C32H46MoN2S2+2 MolecularWeight: 618.79104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+]#[C-].CC(C)(C)[N+]#[C-].CC(C)(C)[S-].CC(C)(C)[S-].C1=CC=C(C=C1)C#CC2=CC=CC=C2.[Mo+4]

Isomeric SMILES

CC(C)(C)[N+]#[C-].CC(C)(C)[N+]#[C-].CC(C)(C)[S-].CC(C)(C)[S-].C1=CC=C(C=C1)C#CC2=CC=CC=C2.[Mo+4]

InChI

InChI=1S/C14H10.2C5H9N.2C4H10S.Mo/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;2*1-5(2,3)6-4;2*1-4(2,3)5;/h1-10H;2*1-3H3;2*5H,1-3H3;/q;;;;;+4/p-2