2-(azepan-1-ylcarbonyl)-3,4,5,6-tetrakis(chloranyl)benzoic acid

Systemtic Name: 2-(azepan-1-ylcarbonyl)-3,4,5,6-tetrakis(chloranyl)benzoic acid Openeye Name: 2-(azepane-1-carbonyl)-3,4,5,6-tetrachloro-benzoic acid CAS Name: 2-[1-azepanyl(oxo)methyl]-3,4,5,6-tetrachlorobenzoic acid IUPAC Name: 2-(azepane-1-carbonyl)-3,4,5,6-tetrachlorobenzoic acid Traditional Name: 2-(azepane-1-carbonyl)-3,4,5,6-tetrachloro-benzoic acid Formula: C14H13Cl4NO3 MolecularWeight: 385.06992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C(=O)O

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C(=O)O

InChI

InChI=1S/C14H13Cl4NO3/c15-9-7(13(20)19-5-3-1-2-4-6-19)8(14(21)22)10(16)12(18)11(9)17/h1-6H2,(H,21,22)