4-ethoxy-3-[2,2,2-tris(chloranyl)-1-oxidanyl-ethyl]benzoic acid

Systemtic Name: 4-ethoxy-3-[2,2,2-tris(chloranyl)-1-oxidanyl-ethyl]benzoic acid Openeye Name: 4-ethoxy-3-(2,2,2-trichloro-1-hydroxy-ethyl)benzoic acid CAS Name: 4-ethoxy-3-(2,2,2-trichloro-1-hydroxyethyl)benzoic acid IUPAC Name: 4-ethoxy-3-(2,2,2-trichloro-1-hydroxyethyl)benzoic acid Traditional Name: 4-ethoxy-3-(2,2,2-trichloro-1-hydroxy-ethyl)benzoic acid Formula: C11H11Cl3O4 MolecularWeight: 313.56164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)O)C(C(Cl)(Cl)Cl)O

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)O)C(C(Cl)(Cl)Cl)O

InChI

InChI=1S/C11H11Cl3O4/c1-2-18-8-4-3-6(10(16)17)5-7(8)9(15)11(12,13)14/h3-5,9,15H,2H2,1H3,(H,16,17)