1-isocyano-3,5-dimethoxy-2-methyl-4-nitro-benzene; 1-isocyano-5-methoxy-2-methyl-4-nitro-benzene; technetium(6+)

Systemtic Name: 1-isocyano-3,5-dimethoxy-2-methyl-4-nitro-benzene; 1-isocyano-5-methoxy-2-methyl-4-nitro-benzene; technetium(6+) Openeye Name: 1-isocyano-3,5-dimethoxy-2-methyl-4-nitro-benzene; 1-isocyano-5-methoxy-2-methyl-4-nitro-benzene; technetium(6+) CAS Name: 1-isocyano-3,5-dimethoxy-2-methyl-4-nitrobenzene; 1-isocyano-5-methoxy-2-methyl-4-nitrobenzene; technetium(6+) IUPAC Name: 1-isocyano-3,5-dimethoxy-2-methyl-4-nitrobenzene; 1-isocyano-5-methoxy-2-methyl-4-nitrobenzene; technetium(6+) Traditional Name: 1-isocyano-3,5-dimethoxy-2-methyl-4-nitro-benzene; 1-isocyano-5-methoxy-2-methyl-4-nitro-benzene; technetium(6+) Formula: C55H50N12O19Tc+6 MolecularWeight: 1280.961716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1[N+]#[C-])OC)[N+](=O)[O-].CC1=CC(=C(C=C1[N+]#[C-])OC)[N+](=O)[O-].CC1=CC(=C(C=C1[N+]#[C-])OC)[N+](=O)[O-].CC1=CC(=C(C=C1[N+]#[C-])OC)[N+](=O)[O-].CC1=CC(=C(C=C1[N+]#[C-])OC)[N+](=O)[O-].CC1=C(C(=C(C=C1[N+]#[C-])OC)[N+](=O)[O-])OC.[Tc+6]

Isomeric SMILES

CC1=CC(=C(C=C1[N+]#[C-])OC)[N+](=O)[O-].CC1=CC(=C(C=C1[N+]#[C-])OC)[N+](=O)[O-].CC1=CC(=C(C=C1[N+]#[C-])OC)[N+](=O)[O-].CC1=CC(=C(C=C1[N+]#[C-])OC)[N+](=O)[O-].CC1=CC(=C(C=C1[N+]#[C-])OC)[N+](=O)[O-].CC1=C(C(=C(C=C1[N+]#[C-])OC)[N+](=O)[O-])OC.[Tc+6]

InChI

InChI=1S/C10H10N2O4.5C9H8N2O3.Tc/c1-6-7(11-2)5-8(15-3)9(12(13)14)10(6)16-4;5*1-6-4-8(11(12)13)9(14-3)5-7(6)10-2;/h5H,1,3-4H3;5*4-5H,1,3H3;/q;;;;;;+6