1-(3-hept-2-ynoylphenyl)hept-2-yn-1-one

Systemtic Name: 1-(3-hept-2-ynoylphenyl)hept-2-yn-1-one Openeye Name: 1-(3-hept-2-ynoylphenyl)hept-2-yn-1-one CAS Name: 1-[3-(1-oxohept-2-ynyl)phenyl]-2-heptyn-1-one IUPAC Name: 1-(3-hept-2-ynoylphenyl)hept-2-yn-1-one Traditional Name: 1-(3-hept-2-ynoylphenyl)hept-2-yn-1-one Formula: C20H22O2 MolecularWeight: 294.38748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC(=O)C1=CC(=CC=C1)C(=O)C#CCCCC

Isomeric SMILES

CCCCC#CC(=O)C1=CC(=CC=C1)C(=O)C#CCCCC

InChI

InChI=1S/C20H22O2/c1-3-5-7-9-14-19(21)17-12-11-13-18(16-17)20(22)15-10-8-6-4-2/h11-13,16H,3-8H2,1-2H3