4-cyanobenzoic acid; iodosylbenzene

Systemtic Name: 4-cyanobenzoic acid; iodosylbenzene Openeye Name: 4-cyanobenzoic acid; iodosylbenzene CAS Name: 4-cyanobenzoic acid; iodosylbenzene IUPAC Name: 4-cyanobenzoic acid; iodosylbenzene Traditional Name: 4-cyanobenzoic acid; iodosylbenzene Formula: C22H15IN2O5 MolecularWeight: 514.26937

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)I=O.C1=CC(=CC=C1C#N)C(=O)O.C1=CC(=CC=C1C#N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)I=O.C1=CC(=CC=C1C#N)C(=O)O.C1=CC(=CC=C1C#N)C(=O)O

InChI

InChI=1S/2C8H5NO2.C6H5IO/c2*9-5-6-1-3-7(4-2-6)8(10)11;8-7-6-4-2-1-3-5-6/h2*1-4H,(H,10,11);1-5H