1-[3-(2-thiophen-2-ylethynyl)phenyl]hexan-1-one

Systemtic Name: 1-[3-(2-thiophen-2-ylethynyl)phenyl]hexan-1-one Openeye Name: 1-[3-[2-(2-thienyl)ethynyl]phenyl]hexan-1-one CAS Name: 1-[3-(2-thiophen-2-ylethynyl)phenyl]-1-hexanone IUPAC Name: 1-[3-(2-thiophen-2-ylethynyl)phenyl]hexan-1-one Traditional Name: 1-[3-[2-(2-thienyl)ethynyl]phenyl]hexan-1-one Formula: C18H18OS MolecularWeight: 282.39992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CC=CC(=C1)C#CC2=CC=CS2

Isomeric SMILES

CCCCCC(=O)C1=CC=CC(=C1)C#CC2=CC=CS2

InChI

InChI=1S/C18H18OS/c1-2-3-4-10-18(19)16-8-5-7-15(14-16)11-12-17-9-6-13-20-17/h5-9,13-14H,2-4,10H2,1H3