5-isocyano-1,2,3-trimethoxy-benzene; technetium-99

Systemtic Name: 5-isocyano-1,2,3-trimethoxy-benzene; technetium-99 Openeye Name: 5-isocyano-1,2,3-trimethoxy-benzene; technetium-99 CAS Name: 5-isocyano-1,2,3-trimethoxybenzene; technetium-99 IUPAC Name: 5-isocyano-1,2,3-trimethoxybenzene; technetium-99 Traditional Name: 5-isocyano-1,2,3-trimethoxy-benzene; technetium-99 Formula: C60H66N6O18Tc MolecularWeight: 1258.101695

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)[N+]#[C-].COC1=CC(=CC(=C1OC)OC)[N+]#[C-].COC1=CC(=CC(=C1OC)OC)[N+]#[C-].COC1=CC(=CC(=C1OC)OC)[N+]#[C-].COC1=CC(=CC(=C1OC)OC)[N+]#[C-].COC1=CC(=CC(=C1OC)OC)[N+]#[C-].[99Tc]

InChI

InChI=1S/6C10H11NO3.Tc/c6*1-11-7-5-8(12-2)10(14-4)9(6-7)13-3;/h6*5-6H,2-4H3;/i;;;;;;1+1