2-(3-isocyanophenyl)ethanamide; technetium(6+)

Systemtic Name: 2-(3-isocyanophenyl)ethanamide; technetium(6+) Openeye Name: 2-(3-isocyanophenyl)acetamide; technetium(6+) CAS Name: 2-(3-isocyanophenyl)acetamide; technetium(6+) IUPAC Name: 2-(3-isocyanophenyl)acetamide; technetium(6+) Traditional Name: 2-(3-isocyanophenyl)acetamide; technetium(6+) Formula: C54H48N12O6Tc+6 MolecularWeight: 1058.942936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/6C9H8N2O.Tc/c6*1-11-8-4-2-3-7(5-8)6-9(10)12;/h6*2-5H,6H2,(H2,10,12);/q;;;;;;+6