1-isocyano-3,5-dimethoxy-benzene; technetium-99

Systemtic Name: 1-isocyano-3,5-dimethoxy-benzene; technetium-99 Openeye Name: 1-isocyano-3,5-dimethoxy-benzene; technetium-99 CAS Name: 1-isocyano-3,5-dimethoxybenzene; technetium-99 IUPAC Name: 1-isocyano-3,5-dimethoxybenzene; technetium-99 Traditional Name: 1-isocyano-3,5-dimethoxy-benzene; technetium-99 Formula: C54H54N6O12Tc MolecularWeight: 1077.945815

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC(=CC(=C1)[N+]#[C-])OC.COC1=CC(=CC(=C1)[N+]#[C-])OC.COC1=CC(=CC(=C1)[N+]#[C-])OC.COC1=CC(=CC(=C1)[N+]#[C-])OC.COC1=CC(=CC(=C1)[N+]#[C-])OC.COC1=CC(=CC(=C1)[N+]#[C-])OC.[99Tc]

InChI

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