2-cyanobenzoate; indium(3+)

Systemtic Name: 2-cyanobenzoate; indium(3+) Openeye Name: 2-cyanobenzoate; indium(3+) CAS Name: 2-cyanobenzoate; indium(3+) IUPAC Name: 2-cyanobenzoate; indium(3+) Traditional Name: 2-cyanobenzoate; indium(3+) Formula: C24H12InN3O6 MolecularWeight: 553.18658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C(=O)[O-].C1=CC=C(C(=C1)C#N)C(=O)[O-].C1=CC=C(C(=C1)C#N)C(=O)[O-].[In+3]

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C(=O)[O-].C1=CC=C(C(=C1)C#N)C(=O)[O-].C1=CC=C(C(=C1)C#N)C(=O)[O-].[In+3]

InChI

InChI=1S/3C8H5NO2.In/c3*9-5-6-3-1-2-4-7(6)8(10)11;/h3*1-4H,(H,10,11);/q;;;+3/p-3