dicopper; 1-isocyano-4-methyl-benzene; phenol

Systemtic Name: dicopper; 1-isocyano-4-methyl-benzene; phenol Openeye Name: dicopper; 1-isocyano-4-methyl-benzene; phenol CAS Name: dicopper; 1-isocyano-4-methylbenzene; phenol IUPAC Name: dicopper; 1-isocyano-4-methylbenzene; phenol Traditional Name: dicupric; 1-isocyano-4-methyl-benzene; phenol Formula: C44H40Cu2N4O2+4 MolecularWeight: 783.906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]#[C-].CC1=CC=C(C=C1)[N+]#[C-].CC1=CC=C(C=C1)[N+]#[C-].CC1=CC=C(C=C1)[N+]#[C-].C1=CC=C(C=C1)O.C1=CC=C(C=C1)O.[Cu+2].[Cu+2]

Isomeric SMILES

CC1=CC=C(C=C1)[N+]#[C-].CC1=CC=C(C=C1)[N+]#[C-].CC1=CC=C(C=C1)[N+]#[C-].CC1=CC=C(C=C1)[N+]#[C-].C1=CC=C(C=C1)O.C1=CC=C(C=C1)O.[Cu+2].[Cu+2]

InChI

InChI=1S/4C8H7N.2C6H6O.2Cu/c4*1-7-3-5-8(9-2)6-4-7;2*7-6-4-2-1-3-5-6;;/h4*3-6H,1H3;2*1-5,7H;;/q;;;;;;2*+2