4-(3-chloranyl-4-ethyl-phenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(3-chloranyl-4-ethyl-phenyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(3-chloro-4-ethyl-phenyl)-4-oxo-butanoic acid CAS Name: 4-(3-chloro-4-ethylphenyl)-4-oxobutanoic acid IUPAC Name: 4-(3-chloro-4-ethylphenyl)-4-oxobutanoic acid Traditional Name: 4-(3-chloro-4-ethyl-phenyl)-4-keto-butyric acid Formula: C12H13ClO3 MolecularWeight: 240.68282

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)CCC(=O)O)Cl

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)CCC(=O)O)Cl

InChI

InChI=1S/C12H13ClO3/c1-2-8-3-4-9(7-10(8)13)11(14)5-6-12(15)16/h3-4,7H,2,5-6H2,1H3,(H,15,16)