1-isocyano-4-methoxy-benzene; technetium-99

Systemtic Name: 1-isocyano-4-methoxy-benzene; technetium-99 Openeye Name: 1-isocyano-4-methoxy-benzene; technetium-99 CAS Name: 1-isocyano-4-methoxybenzene; technetium-99 IUPAC Name: 1-isocyano-4-methoxybenzene; technetium-99 Traditional Name: 1-isocyano-4-methoxy-benzene; technetium-99 Formula: C48H42N6O6Tc MolecularWeight: 897.789935

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/6C8H7NO.Tc/c6*1-9-7-3-5-8(10-2)6-4-7;/h6*3-6H,2H3;/i;;;;;;1+1