4-[2,3-bis(chloranyl)-4-pentanoyl-phenoxy]butanoic acid

Systemtic Name: 4-[2,3-bis(chloranyl)-4-pentanoyl-phenoxy]butanoic acid Openeye Name: 4-(2,3-dichloro-4-pentanoyl-phenoxy)butanoic acid CAS Name: 4-[2,3-dichloro-4-(1-oxopentyl)phenoxy]butanoic acid IUPAC Name: 4-(2,3-dichloro-4-pentanoylphenoxy)butanoic acid Traditional Name: 4-(2,3-dichloro-4-valeryl-phenoxy)butyric acid Formula: C15H18Cl2O4 MolecularWeight: 333.20702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(C(=C(C=C1)OCCCC(=O)O)Cl)Cl

Isomeric SMILES

CCCCC(=O)C1=C(C(=C(C=C1)OCCCC(=O)O)Cl)Cl

InChI

InChI=1S/C15H18Cl2O4/c1-2-3-5-11(18)10-7-8-12(15(17)14(10)16)21-9-4-6-13(19)20/h7-8H,2-6,9H2,1H3,(H,19,20)