5-[1-(3-carboxylato-4-oxidanyl-phenyl)-2,2,2-tris(chloranyl)ethyl]-2-oxidanyl-benzoate

Systemtic Name: 5-[1-(3-carboxylato-4-oxidanyl-phenyl)-2,2,2-tris(chloranyl)ethyl]-2-oxidanyl-benzoate Openeye Name: 5-[1-(3-carboxylato-4-hydroxy-phenyl)-2,2,2-trichloro-ethyl]-2-hydroxy-benzoate CAS Name: 5-[1-(3-carboxylato-4-hydroxyphenyl)-2,2,2-trichloroethyl]-2-hydroxybenzoate IUPAC Name: 5-[1-(3-carboxylato-4-hydroxyphenyl)-2,2,2-trichloroethyl]-2-hydroxybenzoate Traditional Name: 5-[1-(3-carboxylato-4-hydroxy-phenyl)-2,2,2-trichloro-ethyl]-2-hydroxy-benzoate Formula: C16H9Cl3O6-2 MolecularWeight: 403.59806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(C2=CC(=C(C=C2)O)C(=O)[O-])C(Cl)(Cl)Cl)C(=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1C(C2=CC(=C(C=C2)O)C(=O)[O-])C(Cl)(Cl)Cl)C(=O)[O-])O

InChI

InChI=1S/C16H11Cl3O6/c17-16(18,19)13(7-1-3-11(20)9(5-7)14(22)23)8-2-4-12(21)10(6-8)15(24)25/h1-6,13,20-21H,(H,22,23)(H,24,25)/p-2