2-[2,3-bis(chloranyl)-4-propanoyl-phenoxy]butanoic acid; cyclopentylmethanol

Systemtic Name: 2-[2,3-bis(chloranyl)-4-propanoyl-phenoxy]butanoic acid; cyclopentylmethanol Openeye Name: cyclopentylmethanol; 2-(2,3-dichloro-4-propanoyl-phenoxy)butanoic acid CAS Name: cyclopentylmethanol; 2-[2,3-dichloro-4-(1-oxopropyl)phenoxy]butanoic acid IUPAC Name: cyclopentylmethanol; 2-(2,3-dichloro-4-propanoylphenoxy)butanoic acid Traditional Name: cyclopentylmethanol; 2-(2,3-dichloro-4-propionyl-phenoxy)butyric acid Formula: C19H26Cl2O5 MolecularWeight: 405.31274

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC1=C(C(=C(C=C1)C(=O)CC)Cl)Cl.C1CCC(C1)CO

Isomeric SMILES

CCC(C(=O)O)OC1=C(C(=C(C=C1)C(=O)CC)Cl)Cl.C1CCC(C1)CO

InChI

InChI=1S/C13H14Cl2O4.C6H12O/c1-3-8(16)7-5-6-10(12(15)11(7)14)19-9(4-2)13(17)18;7-5-6-3-1-2-4-6/h5-6,9H,3-4H2,1-2H3,(H,17,18);6-7H,1-5H2