2-[2,3-bis(chloranyl)-4-(2-ethyl-5-oxidanylidene-5-phenyl-pentanoyl)phenoxy]ethanoic acid

Systemtic Name: 2-[2,3-bis(chloranyl)-4-(2-ethyl-5-oxidanylidene-5-phenyl-pentanoyl)phenoxy]ethanoic acid Openeye Name: 2-[2,3-dichloro-4-(2-ethyl-5-oxo-5-phenyl-pentanoyl)phenoxy]acetic acid CAS Name: 2-[2,3-dichloro-4-(2-ethyl-1,5-dioxo-5-phenylpentyl)phenoxy]acetic acid IUPAC Name: 2-[2,3-dichloro-4-(2-ethyl-5-oxo-5-phenylpentanoyl)phenoxy]acetic acid Traditional Name: 2-[2,3-dichloro-4-(2-ethyl-5-keto-5-phenyl-pentanoyl)phenoxy]acetic acid Formula: C21H20Cl2O5 MolecularWeight: 423.2865

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(=O)C1=CC=CC=C1)C(=O)C2=C(C(=C(C=C2)OCC(=O)O)Cl)Cl

Isomeric SMILES

CCC(CCC(=O)C1=CC=CC=C1)C(=O)C2=C(C(=C(C=C2)OCC(=O)O)Cl)Cl

InChI

InChI=1S/C21H20Cl2O5/c1-2-13(8-10-16(24)14-6-4-3-5-7-14)21(27)15-9-11-17(20(23)19(15)22)28-12-18(25)26/h3-7,9,11,13H,2,8,10,12H2,1H3,(H,25,26)