2-(6-chloranyl-3-oxidanyl-4-propanoyl-2-propyl-phenoxy)-2-phenyl-ethanoic acid

Systemtic Name: 2-(6-chloranyl-3-oxidanyl-4-propanoyl-2-propyl-phenoxy)-2-phenyl-ethanoic acid Openeye Name: 2-(6-chloro-3-hydroxy-4-propanoyl-2-propyl-phenoxy)-2-phenyl-acetic acid CAS Name: 2-[6-chloro-3-hydroxy-4-(1-oxopropyl)-2-propylphenoxy]-2-phenylacetic acid IUPAC Name: 2-(6-chloro-3-hydroxy-4-propanoyl-2-propylphenoxy)-2-phenylacetic acid Traditional Name: 2-(6-chloro-3-hydroxy-4-propionyl-2-propyl-phenoxy)-2-phenyl-acetic acid Formula: C20H21ClO5 MolecularWeight: 376.83074

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1OC(C2=CC=CC=C2)C(=O)O)Cl)C(=O)CC)O

Isomeric SMILES

CCCC1=C(C(=CC(=C1OC(C2=CC=CC=C2)C(=O)O)Cl)C(=O)CC)O

InChI

InChI=1S/C20H21ClO5/c1-3-8-13-17(23)14(16(22)4-2)11-15(21)19(13)26-18(20(24)25)12-9-6-5-7-10-12/h5-7,9-11,18,23H,3-4,8H2,1-2H3,(H,24,25)