methyl 2,3,4-tris(bromanyl)-5-oxidanyl-6-pentyl-benzoate

Systemtic Name: methyl 2,3,4-tris(bromanyl)-5-oxidanyl-6-pentyl-benzoate Openeye Name: methyl 2,3,4-tribromo-5-hydroxy-6-pentyl-benzoate CAS Name: 2,3,4-tribromo-5-hydroxy-6-pentylbenzoic acid methyl ester IUPAC Name: methyl 2,3,4-tribromo-5-hydroxy-6-pentylbenzoate Traditional Name: 2-amyl-4,5,6-tribromo-3-hydroxy-benzoic acid methyl ester Formula: C13H15Br3O3 MolecularWeight: 458.9684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C(=C1O)Br)Br)Br)C(=O)OC

Isomeric SMILES

CCCCCC1=C(C(=C(C(=C1O)Br)Br)Br)C(=O)OC

InChI

InChI=1S/C13H15Br3O3/c1-3-4-5-6-7-8(13(18)19-2)9(14)10(15)11(16)12(7)17/h17H,3-6H2,1-2H3