3-[2-(4-octylphenyl)-2-oxidanylidene-ethyl]benzenecarbonitrile

Systemtic Name: 3-[2-(4-octylphenyl)-2-oxidanylidene-ethyl]benzenecarbonitrile Openeye Name: 3-[2-(4-octylphenyl)-2-oxo-ethyl]benzonitrile CAS Name: 3-[2-(4-octylphenyl)-2-oxoethyl]benzonitrile IUPAC Name: 3-[2-(4-octylphenyl)-2-oxoethyl]benzonitrile Traditional Name: 3-[2-keto-2-(4-octylphenyl)ethyl]benzonitrile Formula: C23H27NO MolecularWeight: 333.46658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C(=O)CC2=CC=CC(=C2)C#N

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C(=O)CC2=CC=CC(=C2)C#N

InChI

InChI=1S/C23H27NO/c1-2-3-4-5-6-7-9-19-12-14-22(15-13-19)23(25)17-20-10-8-11-21(16-20)18-24/h8,10-16H,2-7,9,17H2,1H3