methyl 2-butyl-4,5,6-tris(chloranyl)-3-oxidanyl-benzoate

Systemtic Name: methyl 2-butyl-4,5,6-tris(chloranyl)-3-oxidanyl-benzoate Openeye Name: methyl 2-butyl-4,5,6-trichloro-3-hydroxy-benzoate CAS Name: 2-butyl-4,5,6-trichloro-3-hydroxybenzoic acid methyl ester IUPAC Name: methyl 2-butyl-4,5,6-trichloro-3-hydroxybenzoate Traditional Name: 2-butyl-4,5,6-trichloro-3-hydroxy-benzoic acid methyl ester Formula: C12H13Cl3O3 MolecularWeight: 311.58882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C(=C1O)Cl)Cl)Cl)C(=O)OC

Isomeric SMILES

CCCCC1=C(C(=C(C(=C1O)Cl)Cl)Cl)C(=O)OC

InChI

InChI=1S/C12H13Cl3O3/c1-3-4-5-6-7(12(17)18-2)8(13)9(14)10(15)11(6)16/h16H,3-5H2,1-2H3