benzoic acid; 2-oxidanyl-2-phenyl-propanedinitrile

Systemtic Name: benzoic acid; 2-oxidanyl-2-phenyl-propanedinitrile Openeye Name: benzoic acid; 2-hydroxy-2-phenyl-propanedinitrile CAS Name: benzoic acid; 2-hydroxy-2-phenylpropanedinitrile IUPAC Name: benzoic acid; 2-hydroxy-2-phenylpropanedinitrile Traditional Name: benzoic acid; 2-hydroxy-2-phenyl-malononitrile Formula: C16H12N2O3 MolecularWeight: 280.27808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6N2O.C7H6O2/c10-6-9(12,7-11)8-4-2-1-3-5-8;8-7(9)6-4-2-1-3-5-6/h1-5,12H;1-5H,(H,8,9)