N-(4-isocyanophenyl)ethanamide; technetium-99

Systemtic Name: N-(4-isocyanophenyl)ethanamide; technetium-99 Openeye Name: N-(4-isocyanophenyl)acetamide; technetium-99 CAS Name: N-(4-isocyanophenyl)acetamide; technetium-99 IUPAC Name: N-(4-isocyanophenyl)acetamide; technetium-99 Traditional Name: N-(4-isocyanophenyl)acetamide; technetium-99 Formula: C54H48N12O6Tc MolecularWeight: 1059.941975

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)[N+]#[C-].CC(=O)NC1=CC=C(C=C1)[N+]#[C-].CC(=O)NC1=CC=C(C=C1)[N+]#[C-].CC(=O)NC1=CC=C(C=C1)[N+]#[C-].CC(=O)NC1=CC=C(C=C1)[N+]#[C-].CC(=O)NC1=CC=C(C=C1)[N+]#[C-].[Tc]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)[N+]#[C-].CC(=O)NC1=CC=C(C=C1)[N+]#[C-].CC(=O)NC1=CC=C(C=C1)[N+]#[C-].CC(=O)NC1=CC=C(C=C1)[N+]#[C-].CC(=O)NC1=CC=C(C=C1)[N+]#[C-].CC(=O)NC1=CC=C(C=C1)[N+]#[C-].[99Tc]

InChI

InChI=1S/6C9H8N2O.Tc/c6*1-7(12)11-9-5-3-8(10-2)4-6-9;/h6*3-6H,1H3,(H,11,12);/i;;;;;;1+1