(3-isocyanophenyl)methanol; technetium-99

Systemtic Name: (3-isocyanophenyl)methanol; technetium-99 Openeye Name: (3-isocyanophenyl)methanol; technetium-99 CAS Name: (3-isocyanophenyl)methanol; technetium-99 IUPAC Name: (3-isocyanophenyl)methanol; technetium-99 Traditional Name: (3-isocyanophenyl)methanol; technetium-99 Formula: C48H42N6O6Tc MolecularWeight: 897.789935

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/6C8H7NO.Tc/c6*1-9-8-4-2-3-7(5-8)6-10;/h6*2-5,10H,6H2;/i;;;;;;1+1