2-methyl-3-phenyl-hept-2-en-5-yn-4-one

Systemtic Name: 2-methyl-3-phenyl-hept-2-en-5-yn-4-one Openeye Name: 2-methyl-3-phenyl-hept-2-en-5-yn-4-one CAS Name: 2-methyl-3-phenyl-4-hept-2-en-5-ynone IUPAC Name: 2-methyl-3-phenylhept-2-en-5-yn-4-one Traditional Name: 2-methyl-3-phenyl-hept-2-en-5-yn-4-one Formula: C14H14O MolecularWeight: 198.26036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14O/c1-4-8-13(15)14(11(2)3)12-9-6-5-7-10-12/h5-7,9-10H,1-3H3