4-[3,5-bis(chloranyl)-4-propyl-phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[3,5-bis(chloranyl)-4-propyl-phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-(3,5-dichloro-4-propyl-phenyl)-4-oxo-butanoic acid CAS Name: 4-(3,5-dichloro-4-propylphenyl)-4-oxobutanoic acid IUPAC Name: 4-(3,5-dichloro-4-propylphenyl)-4-oxobutanoic acid Traditional Name: 4-(3,5-dichloro-4-propyl-phenyl)-4-keto-butyric acid Formula: C13H14Cl2O3 MolecularWeight: 289.15446

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C=C1Cl)C(=O)CCC(=O)O)Cl

Isomeric SMILES

CCCC1=C(C=C(C=C1Cl)C(=O)CCC(=O)O)Cl

InChI

InChI=1S/C13H14Cl2O3/c1-2-3-9-10(14)6-8(7-11(9)15)12(16)4-5-13(17)18/h6-7H,2-5H2,1H3,(H,17,18)