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

Systemtic Name: 3-(4-ethylphenyl)-2-oxidanylidene-hex-5-ynoic acid Openeye Name: 3-(4-ethylphenyl)-2-oxo-hex-5-ynoic acid CAS Name: 3-(4-ethylphenyl)-2-oxo-5-hexynoic acid IUPAC Name: 3-(4-ethylphenyl)-2-oxohex-5-ynoic acid Traditional Name: 3-(4-ethylphenyl)-2-keto-hex-5-ynoic acid Formula: C14H14O3 MolecularWeight: 230.25916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14O3/c1-3-5-12(13(15)14(16)17)11-8-6-10(4-2)7-9-11/h1,6-9,12H,4-5H2,2H3,(H,16,17)