benzene-1,2-dicarbonitrile; 3-pentadecylphenol

Systemtic Name: benzene-1,2-dicarbonitrile; 3-pentadecylphenol Openeye Name: 3-pentadecylphenol; phthalonitrile CAS Name: benzene-1,2-dicarbonitrile; 3-pentadecylphenol IUPAC Name: benzene-1,2-dicarbonitrile; 3-pentadecylphenol Traditional Name: 3-pentadecylphenol; phthalonitrile Formula: C29H40N2O MolecularWeight: 432.6407

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=CC=C1)O.C1=CC=C(C(=C1)C#N)C#N

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=CC=C1)O.C1=CC=C(C(=C1)C#N)C#N

InChI

InChI=1S/C21H36O.C8H4N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20;9-5-7-3-1-2-4-8(7)6-10/h15,17-19,22H,2-14,16H2,1H3;1-4H