benzenecarbonitrile; hexane-1,6-diol

Systemtic Name: benzenecarbonitrile; hexane-1,6-diol Openeye Name: benzonitrile; hexane-1,6-diol CAS Name: benzonitrile; hexane-1,6-diol IUPAC Name: benzonitrile; hexane-1,6-diol Traditional Name: benzonitrile; hexane-1,6-diol Formula: C13H19NO2 MolecularWeight: 221.29546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#N.C(CCCO)CCO

Isomeric SMILES

C1=CC=C(C=C1)C#N.C(CCCO)CCO

InChI

InChI=1S/C7H5N.C6H14O2/c8-6-7-4-2-1-3-5-7;7-5-3-1-2-4-6-8/h1-5H;7-8H,1-6H2