1-(4-isocyanophenyl)ethanone; technetium-99

Systemtic Name: 1-(4-isocyanophenyl)ethanone; technetium-99 Openeye Name: 1-(4-isocyanophenyl)ethanone; technetium-99 CAS Name: 1-(4-isocyanophenyl)ethanone; technetium-99 IUPAC Name: 1-(4-isocyanophenyl)ethanone; technetium-99 Traditional Name: 1-(4-isocyanophenyl)ethanone; technetium-99 Formula: C54H42N6O6Tc MolecularWeight: 969.854135

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/6C9H7NO.Tc/c6*1-7(11)8-3-5-9(10-2)6-4-8;/h6*3-6H,1H3;/i;;;;;;1+1