5-isocyano-1,3-benzodioxole; technetium(6+)

Systemtic Name: 5-isocyano-1,3-benzodioxole; technetium(6+) Openeye Name: 5-isocyano-1,3-benzodioxole; technetium(6+) CAS Name: 5-isocyano-1,3-benzodioxole; technetium(6+) IUPAC Name: 5-isocyano-1,3-benzodioxole; technetium(6+) Traditional Name: 5-isocyano-1,3-benzodioxole; technetium(6+) Formula: C48H30N6O12Tc+6 MolecularWeight: 980.692016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC2=C(C=C1)OCO2.[C-]#[N+]C1=CC2=C(C=C1)OCO2.[C-]#[N+]C1=CC2=C(C=C1)OCO2.[C-]#[N+]C1=CC2=C(C=C1)OCO2.[C-]#[N+]C1=CC2=C(C=C1)OCO2.[C-]#[N+]C1=CC2=C(C=C1)OCO2.[Tc+6]

Isomeric SMILES

[C-]#[N+]C1=CC2=C(C=C1)OCO2.[C-]#[N+]C1=CC2=C(C=C1)OCO2.[C-]#[N+]C1=CC2=C(C=C1)OCO2.[C-]#[N+]C1=CC2=C(C=C1)OCO2.[C-]#[N+]C1=CC2=C(C=C1)OCO2.[C-]#[N+]C1=CC2=C(C=C1)OCO2.[Tc+6]

InChI

InChI=1S/6C8H5NO2.Tc/c6*1-9-6-2-3-7-8(4-6)11-5-10-7;/h6*2-4H,5H2;/q;;;;;;+6