3-[(1E,12E)-octadeca-1,12-dienoxy]-4-phenyl-benzenecarbonitrile

Systemtic Name: 3-[(1E,12E)-octadeca-1,12-dienoxy]-4-phenyl-benzenecarbonitrile Openeye Name: 3-[(1E,12E)-octadeca-1,12-dienoxy]-4-phenyl-benzonitrile CAS Name: 3-[(1E,12E)-octadeca-1,12-dienoxy]-4-phenylbenzonitrile IUPAC Name: 3-[(1E,12E)-octadeca-1,12-dienoxy]-4-phenylbenzonitrile Traditional Name: 3-[(1E,12E)-octadeca-1,12-dienoxy]-4-phenyl-benzonitrile Formula: C31H41NO MolecularWeight: 443.66334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCCCCCCCCCC=COC1=C(C=CC(=C1)C#N)C2=CC=CC=C2

Isomeric SMILES

CCCCC/C=C/CCCCCCCCC/C=C/OC1=C(C=CC(=C1)C#N)C2=CC=CC=C2

InChI

InChI=1S/C31H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-33-31-26-28(27-32)23-24-30(31)29-21-18-17-19-22-29/h6-7,17-26H,2-5,8-16H2,1H3/b7-6+,25-20+