4-[2-(4-hexylphenyl)ethynyl]benzaldehyde

Systemtic Name: 4-[2-(4-hexylphenyl)ethynyl]benzaldehyde Openeye Name: 4-[2-(4-hexylphenyl)ethynyl]benzaldehyde CAS Name: 4-[2-(4-hexylphenyl)ethynyl]benzaldehyde IUPAC Name: 4-[2-(4-hexylphenyl)ethynyl]benzaldehyde Traditional Name: 4-[2-(4-hexylphenyl)ethynyl]benzaldehyde Formula: C21H22O MolecularWeight: 290.39878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C=O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C=O

InChI

InChI=1S/C21H22O/c1-2-3-4-5-6-18-7-9-19(10-8-18)11-12-20-13-15-21(17-22)16-14-20/h7-10,13-17H,2-6H2,1H3