bis(iodanyl)cobalt; 5-ethynyl-2-isocyano-1,3-di(propan-2-yl)benzene

Systemtic Name: bis(iodanyl)cobalt; 5-ethynyl-2-isocyano-1,3-di(propan-2-yl)benzene Openeye Name: diiodocobalt; 5-ethynyl-2-isocyano-1,3-diisopropyl-benzene CAS Name: diiodocobalt; 5-ethynyl-2-isocyano-1,3-di(propan-2-yl)benzene IUPAC Name: diiodocobalt; 5-ethynyl-2-isocyano-1,3-di(propan-2-yl)benzene Traditional Name: diiodocobalt; 5-ethynyl-2-isocyano-1,3-diisopropyl-benzene Formula: C60H68CoI2N4 MolecularWeight: 1157.95086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=C1[N+]#[C-])C(C)C)C#C.CC(C)C1=CC(=CC(=C1[N+]#[C-])C(C)C)C#C.CC(C)C1=CC(=CC(=C1[N+]#[C-])C(C)C)C#C.CC(C)C1=CC(=CC(=C1[N+]#[C-])C(C)C)C#C.[Co](I)I

Isomeric SMILES

CC(C)C1=CC(=CC(=C1[N+]#[C-])C(C)C)C#C.CC(C)C1=CC(=CC(=C1[N+]#[C-])C(C)C)C#C.CC(C)C1=CC(=CC(=C1[N+]#[C-])C(C)C)C#C.CC(C)C1=CC(=CC(=C1[N+]#[C-])C(C)C)C#C.[Co](I)I

InChI

InChI=1S/4C15H17N.Co.2HI/c4*1-7-12-8-13(10(2)3)15(16-6)14(9-12)11(4)5;;;/h4*1,8-11H,2-5H3;;2*1H/q;;;;+2;;/p-2