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

Systemtic Name: 2-[2,3-bis(chloranyl)-4-propanoyl-phenoxy]butanoic acid; phenylmethanol Openeye Name: 2-(2,3-dichloro-4-propanoyl-phenoxy)butanoic acid; phenylmethanol CAS Name: 2-[2,3-dichloro-4-(1-oxopropyl)phenoxy]butanoic acid; phenylmethanol IUPAC Name: 2-(2,3-dichloro-4-propanoylphenoxy)butanoic acid; phenylmethanol Traditional Name: 2-(2,3-dichloro-4-propionyl-phenoxy)butyric acid; phenylmethanol Formula: C20H22Cl2O5 MolecularWeight: 413.29168

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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.C1=CC=C(C=C1)CO

Isomeric SMILES

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

InChI

InChI=1S/C13H14Cl2O4.C7H8O/c1-3-8(16)7-5-6-10(12(15)11(7)14)19-9(4-2)13(17)18;8-6-7-4-2-1-3-5-7/h5-6,9H,3-4H2,1-2H3,(H,17,18);1-5,8H,6H2