2,4-bis(chloranyl)benzoic acid; 2,6-bis(chloranyl)benzoic acid; 4-chloranylbenzoic acid; 2,4,6-tris(chloranyl)benzoic acid

Systemtic Name: 2,4-bis(chloranyl)benzoic acid; 2,6-bis(chloranyl)benzoic acid; 4-chloranylbenzoic acid; 2,4,6-tris(chloranyl)benzoic acid Openeye Name: 4-chlorobenzoic acid; 2,4-dichlorobenzoic acid; 2,6-dichlorobenzoic acid; 2,4,6-trichlorobenzoic acid CAS Name: 4-chlorobenzoic acid; 2,4-dichlorobenzoic acid; 2,6-dichlorobenzoic acid; 2,4,6-trichlorobenzoic acid IUPAC Name: 4-chlorobenzoic acid; 2,4-dichlorobenzoic acid; 2,6-dichlorobenzoic acid; 2,4,6-trichlorobenzoic acid Traditional Name: 4-chlorobenzoic acid; 2,4-dichlorobenzoic acid; 2,6-dichlorobenzoic acid; 2,4,6-trichlorobenzoic acid Formula: C28H16Cl8O8 MolecularWeight: 764.04584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)C(=O)O)Cl.C1=CC(=CC=C1C(=O)O)Cl.C1=CC(=C(C=C1Cl)Cl)C(=O)O.C1=C(C=C(C(=C1Cl)C(=O)O)Cl)Cl

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)C(=O)O)Cl.C1=CC(=CC=C1C(=O)O)Cl.C1=CC(=C(C=C1Cl)Cl)C(=O)O.C1=C(C=C(C(=C1Cl)C(=O)O)Cl)Cl

InChI

InChI=1S/C7H3Cl3O2.2C7H4Cl2O2.C7H5ClO2/c8-3-1-4(9)6(7(11)12)5(10)2-3;8-4-1-2-5(7(10)11)6(9)3-4;8-4-2-1-3-5(9)6(4)7(10)11;8-6-3-1-5(2-4-6)7(9)10/h1-2H,(H,11,12);2*1-3H,(H,10,11);1-4H,(H,9,10)