1-phenyl-2-prop-2-ynyl-butane-1,3-dione

Systemtic Name: 1-phenyl-2-prop-2-ynyl-butane-1,3-dione Openeye Name: 1-phenyl-2-prop-2-ynyl-butane-1,3-dione CAS Name: 1-phenyl-2-prop-2-ynylbutane-1,3-dione IUPAC Name: 1-phenyl-2-prop-2-ynylbutane-1,3-dione Traditional Name: 1-phenyl-2-propargyl-butane-1,3-dione Formula: C13H12O2 MolecularWeight: 200.23318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12O2/c1-3-7-12(10(2)14)13(15)11-8-5-4-6-9-11/h1,4-6,8-9,12H,7H2,2H3