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

Systemtic Name: 4-methoxy-3-[2,2,2-tris(chloranyl)-1-oxidanyl-ethyl]benzoic acid Openeye Name: 4-methoxy-3-(2,2,2-trichloro-1-hydroxy-ethyl)benzoic acid CAS Name: 4-methoxy-3-(2,2,2-trichloro-1-hydroxyethyl)benzoic acid IUPAC Name: 4-methoxy-3-(2,2,2-trichloro-1-hydroxyethyl)benzoic acid Traditional Name: 4-methoxy-3-(2,2,2-trichloro-1-hydroxy-ethyl)benzoic acid Formula: C10H9Cl3O4 MolecularWeight: 299.53506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)C(C(Cl)(Cl)Cl)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)C(C(Cl)(Cl)Cl)O

InChI

InChI=1S/C10H9Cl3O4/c1-17-7-3-2-5(9(15)16)4-6(7)8(14)10(11,12)13/h2-4,8,14H,1H3,(H,15,16)