3-[1,5-bis(oxidanyl)pentan-2-yl]benzenecarbonitrile

Systemtic Name: 3-[1,5-bis(oxidanyl)pentan-2-yl]benzenecarbonitrile Openeye Name: 3-[4-hydroxy-1-(hydroxymethyl)butyl]benzonitrile CAS Name: 3-(1,5-dihydroxypentan-2-yl)benzonitrile IUPAC Name: 3-(1,5-dihydroxypentan-2-yl)benzonitrile Traditional Name: 3-(4-hydroxy-1-methylol-butyl)benzonitrile Formula: C12H15NO2 MolecularWeight: 205.253

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(CCCO)CO)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(CCCO)CO)C#N

InChI

InChI=1S/C12H15NO2/c13-8-10-3-1-4-11(7-10)12(9-15)5-2-6-14/h1,3-4,7,12,14-15H,2,5-6,9H2