1-(5-methyl-2-prop-1-ynyl-phenyl)ethanone

Systemtic Name: 1-(5-methyl-2-prop-1-ynyl-phenyl)ethanone Openeye Name: 1-(5-methyl-2-prop-1-ynyl-phenyl)ethanone CAS Name: 1-(5-methyl-2-prop-1-ynylphenyl)ethanone IUPAC Name: 1-(5-methyl-2-prop-1-ynylphenyl)ethanone Traditional Name: 1-(5-methyl-2-prop-1-ynyl-phenyl)ethanone Formula: C12H12O MolecularWeight: 172.22308

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=C(C=C(C=C1)C)C(=O)C

Isomeric SMILES

CC#CC1=C(C=C(C=C1)C)C(=O)C

InChI

InChI=1S/C12H12O/c1-4-5-11-7-6-9(2)8-12(11)10(3)13/h6-8H,1-3H3