3-oxidanyl-6-pentyl-benzene-1,2-dicarbonitrile

Systemtic Name: 3-oxidanyl-6-pentyl-benzene-1,2-dicarbonitrile Openeye Name: 3-hydroxy-6-pentyl-phthalonitrile CAS Name: 3-hydroxy-6-pentylbenzene-1,2-dicarbonitrile IUPAC Name: 3-hydroxy-6-pentylbenzene-1,2-dicarbonitrile Traditional Name: 3-amyl-6-hydroxy-phthalonitrile Formula: C13H14N2O MolecularWeight: 214.26306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C=C1)O)C#N)C#N

Isomeric SMILES

CCCCCC1=C(C(=C(C=C1)O)C#N)C#N

InChI

InChI=1S/C13H14N2O/c1-2-3-4-5-10-6-7-13(16)12(9-15)11(10)8-14/h6-7,16H,2-5H2,1H3