4-isocyanobenzenecarbonitrile; technetium-99

Systemtic Name: 4-isocyanobenzenecarbonitrile; technetium-99 Openeye Name: 4-isocyanobenzonitrile; technetium-99 CAS Name: 4-isocyanobenzonitrile; technetium-99 IUPAC Name: 4-isocyanobenzonitrile; technetium-99 Traditional Name: 4-isocyanobenzonitrile; technetium-99 Formula: C48H24N12Tc MolecularWeight: 867.690815

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC=C(C=C1)C#N.[C-]#[N+]C1=CC=C(C=C1)C#N.[C-]#[N+]C1=CC=C(C=C1)C#N.[C-]#[N+]C1=CC=C(C=C1)C#N.[C-]#[N+]C1=CC=C(C=C1)C#N.[C-]#[N+]C1=CC=C(C=C1)C#N.[Tc]

Isomeric SMILES

[C-]#[N+]C1=CC=C(C=C1)C#N.[C-]#[N+]C1=CC=C(C=C1)C#N.[C-]#[N+]C1=CC=C(C=C1)C#N.[C-]#[N+]C1=CC=C(C=C1)C#N.[C-]#[N+]C1=CC=C(C=C1)C#N.[C-]#[N+]C1=CC=C(C=C1)C#N.[99Tc]

InChI

InChI=1S/6C8H4N2.Tc/c6*1-10-8-4-2-7(6-9)3-5-8;/h6*2-5H;/i;;;;;;1+1