5-(isocyanomethyl)-1,2,3-trimethoxy-benzene; technetium(6+)

Systemtic Name: 5-(isocyanomethyl)-1,2,3-trimethoxy-benzene; technetium(6+) Openeye Name: 5-(isocyanomethyl)-1,2,3-trimethoxy-benzene; technetium(6+) CAS Name: 5-(isocyanomethyl)-1,2,3-trimethoxybenzene; technetium(6+) IUPAC Name: 5-(isocyanomethyl)-1,2,3-trimethoxybenzene; technetium(6+) Traditional Name: 5-(isocyanomethyl)-1,2,3-trimethoxy-benzene; technetium(6+) Formula: C66H78N6O18Tc+6 MolecularWeight: 1341.262136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C[N+]#[C-].COC1=CC(=CC(=C1OC)OC)C[N+]#[C-].COC1=CC(=CC(=C1OC)OC)C[N+]#[C-].COC1=CC(=CC(=C1OC)OC)C[N+]#[C-].COC1=CC(=CC(=C1OC)OC)C[N+]#[C-].COC1=CC(=CC(=C1OC)OC)C[N+]#[C-].[Tc+6]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C[N+]#[C-].COC1=CC(=CC(=C1OC)OC)C[N+]#[C-].COC1=CC(=CC(=C1OC)OC)C[N+]#[C-].COC1=CC(=CC(=C1OC)OC)C[N+]#[C-].COC1=CC(=CC(=C1OC)OC)C[N+]#[C-].COC1=CC(=CC(=C1OC)OC)C[N+]#[C-].[Tc+6]

InChI

InChI=1S/6C11H13NO3.Tc/c6*1-12-7-8-5-9(13-2)11(15-4)10(6-8)14-3;/h6*5-6H,7H2,2-4H3;/q;;;;;;+6