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

Systemtic Name: 4-[4-butyl-3,5-bis(chloranyl)phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-butyl-3,5-dichloro-phenyl)-4-oxo-butanoic acid CAS Name: 4-(4-butyl-3,5-dichlorophenyl)-4-oxobutanoic acid IUPAC Name: 4-(4-butyl-3,5-dichlorophenyl)-4-oxobutanoic acid Traditional Name: 4-(4-butyl-3,5-dichloro-phenyl)-4-keto-butyric acid Formula: C14H16Cl2O3 MolecularWeight: 303.18104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C=C1Cl)C(=O)CCC(=O)O)Cl

Isomeric SMILES

CCCCC1=C(C=C(C=C1Cl)C(=O)CCC(=O)O)Cl

InChI

InChI=1S/C14H16Cl2O3/c1-2-3-4-10-11(15)7-9(8-12(10)16)13(17)5-6-14(18)19/h7-8H,2-6H2,1H3,(H,18,19)