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

Systemtic Name: 3-(4-methoxyphenyl)-2-oxidanylidene-hex-5-ynoic acid Openeye Name: 3-(4-methoxyphenyl)-2-oxo-hex-5-ynoic acid CAS Name: 3-(4-methoxyphenyl)-2-oxo-5-hexynoic acid IUPAC Name: 3-(4-methoxyphenyl)-2-oxohex-5-ynoic acid Traditional Name: 2-keto-3-(4-methoxyphenyl)hex-5-ynoic acid Formula: C13H12O4 MolecularWeight: 232.23198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC#C)C(=O)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(CC#C)C(=O)C(=O)O

InChI

InChI=1S/C13H12O4/c1-3-4-11(12(14)13(15)16)9-5-7-10(17-2)8-6-9/h1,5-8,11H,4H2,2H3,(H,15,16)