(E)-2-(4-chlorophenyl)-3-methyl-5-oxidanylidene-hex-3-enoic acid

Systemtic Name: (E)-2-(4-chlorophenyl)-3-methyl-5-oxidanylidene-hex-3-enoic acid Openeye Name: (E)-2-(4-chlorophenyl)-3-methyl-5-oxo-hex-3-enoic acid CAS Name: (E)-2-(4-chlorophenyl)-3-methyl-5-oxo-3-hexenoic acid IUPAC Name: (E)-2-(4-chlorophenyl)-3-methyl-5-oxohex-3-enoic acid Traditional Name: (E)-2-(4-chlorophenyl)-5-keto-3-methyl-hex-3-enoic acid Formula: C13H13ClO3 MolecularWeight: 252.69352

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C)C(C1=CC=C(C=C1)Cl)C(=O)O

Isomeric SMILES

C/C(=C\C(=O)C)/C(C1=CC=C(C=C1)Cl)C(=O)O

InChI

InChI=1S/C13H13ClO3/c1-8(7-9(2)15)12(13(16)17)10-3-5-11(14)6-4-10/h3-7,12H,1-2H3,(H,16,17)/b8-7+