4-[1-(4-carboxylatophenyl)-2,2,2-tris(chloranyl)ethyl]benzoate

Systemtic Name: 4-[1-(4-carboxylatophenyl)-2,2,2-tris(chloranyl)ethyl]benzoate Openeye Name: 4-[1-(4-carboxylatophenyl)-2,2,2-trichloro-ethyl]benzoate CAS Name: 4-[1-(4-carboxylatophenyl)-2,2,2-trichloroethyl]benzoate IUPAC Name: 4-[1-(4-carboxylatophenyl)-2,2,2-trichloroethyl]benzoate Traditional Name: 4-[1-(4-carboxylatophenyl)-2,2,2-trichloro-ethyl]benzoate Formula: C16H9Cl3O4-2 MolecularWeight: 371.59926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11Cl3O4/c17-16(18,19)13(9-1-5-11(6-2-9)14(20)21)10-3-7-12(8-4-10)15(22)23/h1-8,13H,(H,20,21)(H,22,23)/p-2