3-(4-methylphenyl)-2-oxidanylidene-hex-5-ynoic acid

Systemtic Name: 3-(4-methylphenyl)-2-oxidanylidene-hex-5-ynoic acid Openeye Name: 2-oxo-3-(p-tolyl)hex-5-ynoic acid CAS Name: 3-(4-methylphenyl)-2-oxo-5-hexynoic acid IUPAC Name: 3-(4-methylphenyl)-2-oxohex-5-ynoic acid Traditional Name: 2-keto-3-(p-tolyl)hex-5-ynoic acid Formula: C13H12O3 MolecularWeight: 216.23258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12O3/c1-3-4-11(12(14)13(15)16)10-7-5-9(2)6-8-10/h1,5-8,11H,4H2,2H3,(H,15,16)