3-methyl-5-phenyl-pent-4-ynal

Systemtic Name: 3-methyl-5-phenyl-pent-4-ynal Openeye Name: 3-methyl-5-phenyl-pent-4-ynal CAS Name: 3-methyl-5-phenyl-4-pentynal IUPAC Name: 3-methyl-5-phenylpent-4-ynal Traditional Name: 3-methyl-5-phenyl-pent-4-ynal Formula: C12H12O MolecularWeight: 172.22308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC=O)C#CC1=CC=CC=C1

Isomeric SMILES

CC(CC=O)C#CC1=CC=CC=C1

InChI

InChI=1S/C12H12O/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,10-11H,9H2,1H3