3,5-bis[2-(4-pentylphenyl)ethynyl]benzaldehyde

Systemtic Name: 3,5-bis[2-(4-pentylphenyl)ethynyl]benzaldehyde Openeye Name: 3,5-bis[2-(4-pentylphenyl)ethynyl]benzaldehyde CAS Name: 3,5-bis[2-(4-pentylphenyl)ethynyl]benzaldehyde IUPAC Name: 3,5-bis[2-(4-pentylphenyl)ethynyl]benzaldehyde Traditional Name: 3,5-bis[2-(4-amylphenyl)ethynyl]benzaldehyde Formula: C33H34O MolecularWeight: 446.62246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C#CC2=CC(=CC(=C2)C=O)C#CC3=CC=C(C=C3)CCCCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C#CC2=CC(=CC(=C2)C=O)C#CC3=CC=C(C=C3)CCCCC

InChI

InChI=1S/C33H34O/c1-3-5-7-9-27-11-15-29(16-12-27)19-21-31-23-32(25-33(24-31)26-34)22-20-30-17-13-28(14-18-30)10-8-6-4-2/h11-18,23-26H,3-10H2,1-2H3