3-[(3E,5E)-1-oxidanylpentadeca-3,5-dienyl]benzenecarbonitrile

Systemtic Name: 3-[(3E,5E)-1-oxidanylpentadeca-3,5-dienyl]benzenecarbonitrile Openeye Name: 3-[(3E,5E)-1-hydroxypentadeca-3,5-dienyl]benzonitrile CAS Name: 3-[(3E,5E)-1-hydroxypentadeca-3,5-dienyl]benzonitrile IUPAC Name: 3-[(3E,5E)-1-hydroxypentadeca-3,5-dienyl]benzonitrile Traditional Name: 3-[(3E,5E)-1-hydroxypentadeca-3,5-dienyl]benzonitrile Formula: C22H31NO MolecularWeight: 325.48764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC=CC=CCC(C1=CC=CC(=C1)C#N)O

Isomeric SMILES

CCCCCCCCC/C=C/C=C/CC(C1=CC=CC(=C1)C#N)O

InChI

InChI=1S/C22H31NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22(24)21-16-14-15-20(18-21)19-23/h10-16,18,22,24H,2-9,17H2,1H3/b11-10+,13-12+