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

Systemtic Name: 5-(2-isocyanoethyl)-1,2,3-trimethoxy-benzene; technetium(6+) Openeye Name: 5-(2-isocyanoethyl)-1,2,3-trimethoxy-benzene; technetium(6+) CAS Name: 5-(2-isocyanoethyl)-1,2,3-trimethoxybenzene; technetium(6+) IUPAC Name: 5-(2-isocyanoethyl)-1,2,3-trimethoxybenzene; technetium(6+) Traditional Name: 5-(2-isocyanoethyl)-1,2,3-trimethoxy-benzene; technetium(6+) Formula: C72H90N6O18Tc+6 MolecularWeight: 1425.421616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/6C12H15NO3.Tc/c6*1-13-6-5-9-7-10(14-2)12(16-4)11(8-9)15-3;/h6*7-8H,5-6H2,2-4H3;/q;;;;;;+6