(E)-6-(2-methylphenyl)-3-oxidanylidene-hex-5-enoic acid

Systemtic Name: (E)-6-(2-methylphenyl)-3-oxidanylidene-hex-5-enoic acid Openeye Name: (E)-6-(o-tolyl)-3-oxo-hex-5-enoic acid CAS Name: (E)-6-(2-methylphenyl)-3-oxo-5-hexenoic acid IUPAC Name: (E)-6-(2-methylphenyl)-3-oxohex-5-enoic acid Traditional Name: (E)-3-keto-6-(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=CCC(=O)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C13H14O3/c1-10-5-2-3-6-11(10)7-4-8-12(14)9-13(15)16/h2-7H,8-9H2,1H3,(H,15,16)/b7-4+