3-(4-ethylphenyl)-3-methyl-2-oxidanylidene-hex-5-ynoic acid

Systemtic Name: 3-(4-ethylphenyl)-3-methyl-2-oxidanylidene-hex-5-ynoic acid Openeye Name: 3-(4-ethylphenyl)-3-methyl-2-oxo-hex-5-ynoic acid CAS Name: 3-(4-ethylphenyl)-3-methyl-2-oxo-5-hexynoic acid IUPAC Name: 3-(4-ethylphenyl)-3-methyl-2-oxohex-5-ynoic acid Traditional Name: 3-(4-ethylphenyl)-2-keto-3-methyl-hex-5-ynoic acid Formula: C15H16O3 MolecularWeight: 244.28574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)(CC#C)C(=O)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(C)(CC#C)C(=O)C(=O)O

InChI

InChI=1S/C15H16O3/c1-4-10-15(3,13(16)14(17)18)12-8-6-11(5-2)7-9-12/h1,6-9H,5,10H2,2-3H3,(H,17,18)