1-[4-chloranyl-2-(2-phenylethynyl)phenyl]but-2-yn-1-one

Systemtic Name: 1-[4-chloranyl-2-(2-phenylethynyl)phenyl]but-2-yn-1-one Openeye Name: 1-[4-chloro-2-(2-phenylethynyl)phenyl]but-2-yn-1-one CAS Name: 1-[4-chloro-2-(2-phenylethynyl)phenyl]-2-butyn-1-one IUPAC Name: 1-[4-chloro-2-(2-phenylethynyl)phenyl]but-2-yn-1-one Traditional Name: 1-[4-chloro-2-(2-phenylethynyl)phenyl]but-2-yn-1-one Formula: C18H11ClO MolecularWeight: 278.73234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11ClO/c1-2-6-18(20)17-12-11-16(19)13-15(17)10-9-14-7-4-3-5-8-14/h3-5,7-8,11-13H,1H3