2-(phenylcarbonyl)-4-prop-2-ynyl-cyclohexane-1,3-dione

Systemtic Name: 2-(phenylcarbonyl)-4-prop-2-ynyl-cyclohexane-1,3-dione Openeye Name: 2-benzoyl-4-prop-2-ynyl-cyclohexane-1,3-dione CAS Name: 2-benzoyl-4-prop-2-ynylcyclohexane-1,3-dione IUPAC Name: 2-benzoyl-4-prop-2-ynylcyclohexane-1,3-dione Traditional Name: 2-benzoyl-4-propargyl-cyclohexane-1,3-quinone Formula: C16H14O3 MolecularWeight: 254.28056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCC1CCC(=O)C(C1=O)C(=O)C2=CC=CC=C2

Isomeric SMILES

C#CCC1CCC(=O)C(C1=O)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H14O3/c1-2-6-11-9-10-13(17)14(15(11)18)16(19)12-7-4-3-5-8-12/h1,3-5,7-8,11,14H,6,9-10H2