2-[3,5-bis(but-3-ynyl)phenyl]ethanal

Systemtic Name: 2-[3,5-bis(but-3-ynyl)phenyl]ethanal Openeye Name: 2-[3,5-bis(but-3-ynyl)phenyl]acetaldehyde CAS Name: 2-[3,5-bis(but-3-ynyl)phenyl]acetaldehyde IUPAC Name: 2-[3,5-bis(but-3-ynyl)phenyl]acetaldehyde Traditional Name: 2-[3,5-bis(but-3-ynyl)phenyl]acetaldehyde Formula: C16H16O MolecularWeight: 224.29764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCCC1=CC(=CC(=C1)CC=O)CCC#C

Isomeric SMILES

C#CCCC1=CC(=CC(=C1)CC=O)CCC#C

InChI

InChI=1S/C16H16O/c1-3-5-7-14-11-15(8-6-4-2)13-16(12-14)9-10-17/h1-2,10-13H,5-9H2