2,4,6-tris(trichloromethyl)benzoic acid

Systemtic Name: 2,4,6-tris(trichloromethyl)benzoic acid Openeye Name: 2,4,6-tris(trichloromethyl)benzoic acid CAS Name: 2,4,6-tris(trichloromethyl)benzoic acid IUPAC Name: 2,4,6-tris(trichloromethyl)benzoic acid Traditional Name: 2,4,6-tris(trichloromethyl)benzoic acid Formula: C10H3Cl9O2 MolecularWeight: 474.20662

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1C(Cl)(Cl)Cl)C(=O)O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

Isomeric SMILES

C1=C(C=C(C(=C1C(Cl)(Cl)Cl)C(=O)O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

InChI

InChI=1S/C10H3Cl9O2/c11-8(12,13)3-1-4(9(14,15)16)6(7(20)21)5(2-3)10(17,18)19/h1-2H,(H,20,21)