2-(1-phenylprop-2-ynyl)cycloheptane-1,3-dione

Systemtic Name: 2-(1-phenylprop-2-ynyl)cycloheptane-1,3-dione Openeye Name: 2-(1-phenylprop-2-ynyl)cycloheptane-1,3-dione CAS Name: 2-(1-phenylprop-2-ynyl)cycloheptane-1,3-dione IUPAC Name: 2-(1-phenylprop-2-ynyl)cycloheptane-1,3-dione Traditional Name: 2-(1-phenylprop-2-ynyl)cycloheptane-1,3-quinone Formula: C16H16O2 MolecularWeight: 240.29704

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(C1C(=O)CCCCC1=O)C2=CC=CC=C2

Isomeric SMILES

C#CC(C1C(=O)CCCCC1=O)C2=CC=CC=C2

InChI

InChI=1S/C16H16O2/c1-2-13(12-8-4-3-5-9-12)16-14(17)10-6-7-11-15(16)18/h1,3-5,8-9,13,16H,6-7,10-11H2