benzoic acid; 2-oxidanyl-2-phenyl-ethanenitrile

Systemtic Name: benzoic acid; 2-oxidanyl-2-phenyl-ethanenitrile Openeye Name: benzoic acid; 2-hydroxy-2-phenyl-acetonitrile CAS Name: benzoic acid; 2-hydroxy-2-phenylacetonitrile IUPAC Name: benzoic acid; 2-hydroxy-2-phenylacetonitrile Traditional Name: benzoic acid; 2-hydroxy-2-phenyl-acetonitrile Formula: C15H13NO3 MolecularWeight: 255.26862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H7NO.C7H6O2/c9-6-8(10)7-4-2-1-3-5-7;8-7(9)6-4-2-1-3-5-6/h1-5,8,10H;1-5H,(H,8,9)