2-isocyano-1-methoxy-4-nitro-benzene; technetium(6+)

Systemtic Name: 2-isocyano-1-methoxy-4-nitro-benzene; technetium(6+) Openeye Name: 2-isocyano-1-methoxy-4-nitro-benzene; technetium(6+) CAS Name: 2-isocyano-1-methoxy-4-nitrobenzene; technetium(6+) IUPAC Name: 2-isocyano-1-methoxy-4-nitrobenzene; technetium(6+) Traditional Name: 2-isocyano-1-methoxy-4-nitro-benzene; technetium(6+) Formula: C48H36N12O18Tc+6 MolecularWeight: 1166.776256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])[N+]#[C-].COC1=C(C=C(C=C1)[N+](=O)[O-])[N+]#[C-].COC1=C(C=C(C=C1)[N+](=O)[O-])[N+]#[C-].COC1=C(C=C(C=C1)[N+](=O)[O-])[N+]#[C-].COC1=C(C=C(C=C1)[N+](=O)[O-])[N+]#[C-].COC1=C(C=C(C=C1)[N+](=O)[O-])[N+]#[C-].[Tc+6]

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])[N+]#[C-].COC1=C(C=C(C=C1)[N+](=O)[O-])[N+]#[C-].COC1=C(C=C(C=C1)[N+](=O)[O-])[N+]#[C-].COC1=C(C=C(C=C1)[N+](=O)[O-])[N+]#[C-].COC1=C(C=C(C=C1)[N+](=O)[O-])[N+]#[C-].COC1=C(C=C(C=C1)[N+](=O)[O-])[N+]#[C-].[Tc+6]

InChI

InChI=1S/6C8H6N2O3.Tc/c6*1-9-7-5-6(10(11)12)3-4-8(7)13-2;/h6*3-5H,2H3;/q;;;;;;+6