methyl 2-isocyano-2-methyl-propanoate; technetium-99

Systemtic Name: methyl 2-isocyano-2-methyl-propanoate; technetium-99 Openeye Name: methyl 2-isocyano-2-methyl-propanoate; technetium-99 CAS Name: 2-isocyano-2-methylpropanoic acid methyl ester; technetium-99 IUPAC Name: methyl 2-isocyano-2-methylpropanoate; technetium-99 Traditional Name: 2-isocyano-2-methyl-propionic acid methyl ester; technetium-99 Formula: C36H54N6O12Tc MolecularWeight: 861.753215

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/6C6H9NO2.Tc/c6*1-6(2,7-3)5(8)9-4;/h6*1-2,4H3;/i;;;;;;1+1