5-methyl-2-[(E)-4-oxidanylidenebut-2-en-2-yl]hex-4-enoic acid

Systemtic Name: 5-methyl-2-[(E)-4-oxidanylidenebut-2-en-2-yl]hex-4-enoic acid Openeye Name: 5-methyl-2-[(E)-1-methyl-3-oxo-prop-1-enyl]hex-4-enoic acid CAS Name: 5-methyl-2-[(E)-4-oxobut-2-en-2-yl]-4-hexenoic acid IUPAC Name: 5-methyl-2-[(E)-4-oxobut-2-en-2-yl]hex-4-enoic acid Traditional Name: 2-[(E)-3-keto-1-methyl-prop-1-enyl]-5-methyl-hex-4-enoic acid Formula: C11H16O3 MolecularWeight: 196.24294

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC(C(=CC=O)C)C(=O)O)C

Isomeric SMILES

CC(=CCC(/C(=C/C=O)/C)C(=O)O)C

InChI

InChI=1S/C11H16O3/c1-8(2)4-5-10(11(13)14)9(3)6-7-12/h4,6-7,10H,5H2,1-3H3,(H,13,14)/b9-6+