1-isocyano-5-methoxy-2-methyl-4-nitro-benzene; technetium-99

Systemtic Name: 1-isocyano-5-methoxy-2-methyl-4-nitro-benzene; technetium-99 Openeye Name: 1-isocyano-5-methoxy-2-methyl-4-nitro-benzene; technetium-99 CAS Name: 1-isocyano-5-methoxy-2-methyl-4-nitrobenzene; technetium-99 IUPAC Name: 1-isocyano-5-methoxy-2-methyl-4-nitrobenzene; technetium-99 Traditional Name: 1-isocyano-5-methoxy-2-methyl-4-nitro-benzene; technetium-99 Formula: C54H48N12O18Tc MolecularWeight: 1251.934775

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

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

InChI

InChI=1S/6C9H8N2O3.Tc/c6*1-6-4-8(11(12)13)9(14-3)5-7(6)10-2;/h6*4-5H,1,3H3;/i;;;;;;1+1