5,5-dimethyl-1-phenyl-oct-7-yne-1,3-dione

Systemtic Name: 5,5-dimethyl-1-phenyl-oct-7-yne-1,3-dione Openeye Name: 5,5-dimethyl-1-phenyl-oct-7-yne-1,3-dione CAS Name: 5,5-dimethyl-1-phenyl-7-octyne-1,3-dione IUPAC Name: 5,5-dimethyl-1-phenyloct-7-yne-1,3-dione Traditional Name: 5,5-dimethyl-1-phenyl-oct-7-yne-1,3-dione Formula: C16H18O2 MolecularWeight: 242.31292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18O2/c1-4-10-16(2,3)12-14(17)11-15(18)13-8-6-5-7-9-13/h1,5-9H,10-12H2,2-3H3