4-[1,2-bis(oxidanyl)ethyl]benzenecarbonitrile

Systemtic Name: 4-[1,2-bis(oxidanyl)ethyl]benzenecarbonitrile Openeye Name: 4-(1,2-dihydroxyethyl)benzonitrile CAS Name: 4-(1,2-dihydroxyethyl)benzonitrile IUPAC Name: 4-(1,2-dihydroxyethyl)benzonitrile Traditional Name: 4-(1,2-dihydroxyethyl)benzonitrile Formula: C9H9NO2 MolecularWeight: 163.17326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(CO)O

Isomeric SMILES

C1=CC(=CC=C1C#N)C(CO)O

InChI

InChI=1S/C9H9NO2/c10-5-7-1-3-8(4-2-7)9(12)6-11/h1-4,9,11-12H,6H2