[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2,3,6-tris(chloranyl)benzoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2,3,6-tris(chloranyl)benzoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 2,3,6-trichlorobenzoate CAS Name: 2,3,6-trichlorobenzoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 2,3,6-trichlorobenzoate Traditional Name: 2,3,6-trichlorobenzoic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C13H6BrCl3O3S MolecularWeight: 428.51294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1Cl)C(=O)OCC(=O)C2=CC=C(S2)Br)Cl)Cl

Isomeric SMILES

C1=CC(=C(C(=C1Cl)C(=O)OCC(=O)C2=CC=C(S2)Br)Cl)Cl

InChI

InChI=1S/C13H6BrCl3O3S/c14-10-4-3-9(21-10)8(18)5-20-13(19)11-6(15)1-2-7(16)12(11)17/h1-4H,5H2