2-(2-methylphenyl)-4-oxidanylidene-hex-5-enoic acid

Systemtic Name: 2-(2-methylphenyl)-4-oxidanylidene-hex-5-enoic acid Openeye Name: 2-(o-tolyl)-4-oxo-hex-5-enoic acid CAS Name: 2-(2-methylphenyl)-4-oxo-5-hexenoic acid IUPAC Name: 2-(2-methylphenyl)-4-oxohex-5-enoic acid Traditional Name: 4-keto-2-(o-tolyl)hex-5-enoic acid Formula: C13H14O3 MolecularWeight: 218.24846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CC(=O)C=C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(CC(=O)C=C)C(=O)O

InChI

InChI=1S/C13H14O3/c1-3-10(14)8-12(13(15)16)11-7-5-4-6-9(11)2/h3-7,12H,1,8H2,2H3,(H,15,16)