1-(2-isocyanoethyl)-4-methoxy-benzene; technetium-99

Systemtic Name: 1-(2-isocyanoethyl)-4-methoxy-benzene; technetium-99 Openeye Name: 1-(2-isocyanoethyl)-4-methoxy-benzene; technetium-99 CAS Name: 1-(2-isocyanoethyl)-4-methoxybenzene; technetium-99 IUPAC Name: 1-(2-isocyanoethyl)-4-methoxybenzene; technetium-99 Traditional Name: 1-(2-isocyanoethyl)-4-methoxy-benzene; technetium-99 Formula: C60H66N6O6Tc MolecularWeight: 1066.108895

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/6C10H11NO.Tc/c6*1-11-8-7-9-3-5-10(12-2)6-4-9;/h6*3-6H,7-8H2,2H3;/i;;;;;;1+1