3-[4-(2,4-dichlorophenyl)carbonyl-2,6-dimethyl-phenoxy]cyclopentane-1-carboxylic acid

Systemtic Name: 3-[4-(2,4-dichlorophenyl)carbonyl-2,6-dimethyl-phenoxy]cyclopentane-1-carboxylic acid Openeye Name: 3-[4-(2,4-dichlorobenzoyl)-2,6-dimethyl-phenoxy]cyclopentanecarboxylic acid CAS Name: 3-[4-[(2,4-dichlorophenyl)-oxomethyl]-2,6-dimethylphenoxy]-1-cyclopentanecarboxylic acid IUPAC Name: 3-[4-(2,4-dichlorobenzoyl)-2,6-dimethylphenoxy]cyclopentane-1-carboxylic acid Traditional Name: 3-[4-(2,4-dichlorobenzoyl)-2,6-dimethyl-phenoxy]cyclopentanecarboxylic acid Formula: C21H20Cl2O4 MolecularWeight: 407.2871

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2CCC(C2)C(=O)O)C)C(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=CC(=CC(=C1OC2CCC(C2)C(=O)O)C)C(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H20Cl2O4/c1-11-7-14(19(24)17-6-4-15(22)10-18(17)23)8-12(2)20(11)27-16-5-3-13(9-16)21(25)26/h4,6-8,10,13,16H,3,5,9H2,1-2H3,(H,25,26)