4-isocyano-1,2-dimethoxy-benzene; technetium(6+)

Systemtic Name: 4-isocyano-1,2-dimethoxy-benzene; technetium(6+) Openeye Name: 4-isocyano-1,2-dimethoxy-benzene; technetium(6+) CAS Name: 4-isocyano-1,2-dimethoxybenzene; technetium(6+) IUPAC Name: 4-isocyano-1,2-dimethoxybenzene; technetium(6+) Traditional Name: 4-isocyano-1,2-dimethoxy-benzene; technetium(6+) Formula: C54H54N6O12Tc+6 MolecularWeight: 1076.946776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+]#[C-])OC.COC1=C(C=C(C=C1)[N+]#[C-])OC.COC1=C(C=C(C=C1)[N+]#[C-])OC.COC1=C(C=C(C=C1)[N+]#[C-])OC.COC1=C(C=C(C=C1)[N+]#[C-])OC.COC1=C(C=C(C=C1)[N+]#[C-])OC.[Tc+6]

Isomeric SMILES

COC1=C(C=C(C=C1)[N+]#[C-])OC.COC1=C(C=C(C=C1)[N+]#[C-])OC.COC1=C(C=C(C=C1)[N+]#[C-])OC.COC1=C(C=C(C=C1)[N+]#[C-])OC.COC1=C(C=C(C=C1)[N+]#[C-])OC.COC1=C(C=C(C=C1)[N+]#[C-])OC.[Tc+6]

InChI

InChI=1S/6C9H9NO2.Tc/c6*1-10-7-4-5-8(11-2)9(6-7)12-3;/h6*4-6H,2-3H3;/q;;;;;;+6