4-(isocyanomethyl)-1,2-dimethoxy-benzene; technetium-99

Systemtic Name: 4-(isocyanomethyl)-1,2-dimethoxy-benzene; technetium-99 Openeye Name: 4-(isocyanomethyl)-1,2-dimethoxy-benzene; technetium-99 CAS Name: 4-(isocyanomethyl)-1,2-dimethoxybenzene; technetium-99 IUPAC Name: 4-(isocyanomethyl)-1,2-dimethoxybenzene; technetium-99 Traditional Name: 4-(isocyanomethyl)-1,2-dimethoxy-benzene; technetium-99 Formula: C60H66N6O12Tc MolecularWeight: 1162.105295

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[N+]#[C-])OC.COC1=C(C=C(C=C1)C[N+]#[C-])OC.COC1=C(C=C(C=C1)C[N+]#[C-])OC.COC1=C(C=C(C=C1)C[N+]#[C-])OC.COC1=C(C=C(C=C1)C[N+]#[C-])OC.COC1=C(C=C(C=C1)C[N+]#[C-])OC.[Tc]

Isomeric SMILES

COC1=C(C=C(C=C1)C[N+]#[C-])OC.COC1=C(C=C(C=C1)C[N+]#[C-])OC.COC1=C(C=C(C=C1)C[N+]#[C-])OC.COC1=C(C=C(C=C1)C[N+]#[C-])OC.COC1=C(C=C(C=C1)C[N+]#[C-])OC.COC1=C(C=C(C=C1)C[N+]#[C-])OC.[99Tc]

InChI

InChI=1S/6C10H11NO2.Tc/c6*1-11-7-8-4-5-9(12-2)10(6-8)13-3;/h6*4-6H,7H2,2-3H3;/i;;;;;;1+1