4-cyanobenzoic acid; 4-(hydroxymethyl)benzenecarbonitrile; 4-methanoylbenzenecarbonitrile

Systemtic Name: 4-cyanobenzoic acid; 4-(hydroxymethyl)benzenecarbonitrile; 4-methanoylbenzenecarbonitrile Openeye Name: 4-cyanobenzoic acid; 4-formylbenzonitrile; 4-(hydroxymethyl)benzonitrile CAS Name: 4-cyanobenzoic acid; 4-formylbenzonitrile; 4-(hydroxymethyl)benzonitrile IUPAC Name: 4-cyanobenzoic acid; 4-formylbenzonitrile; 4-(hydroxymethyl)benzonitrile Traditional Name: 4-cyanobenzoic acid; 4-formylbenzonitrile; 4-methylolbenzonitrile Formula: C24H17N3O4 MolecularWeight: 411.40948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CO)C#N.C1=CC(=CC=C1C=O)C#N.C1=CC(=CC=C1C#N)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CO)C#N.C1=CC(=CC=C1C=O)C#N.C1=CC(=CC=C1C#N)C(=O)O

InChI

InChI=1S/C8H5NO2.C8H7NO.C8H5NO/c9-5-6-1-3-7(4-2-6)8(10)11;2*9-5-7-1-3-8(6-10)4-2-7/h1-4H,(H,10,11);1-4,10H,6H2;1-4,6H