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

Systemtic Name: methyl 2,3,4-tris(bromanyl)-6-hexyl-5-oxidanyl-benzoate Openeye Name: methyl 2,3,4-tribromo-6-hexyl-5-hydroxy-benzoate CAS Name: 2,3,4-tribromo-6-hexyl-5-hydroxybenzoic acid methyl ester IUPAC Name: methyl 2,3,4-tribromo-6-hexyl-5-hydroxybenzoate Traditional Name: 2,3,4-tribromo-6-hexyl-5-hydroxy-benzoic acid methyl ester Formula: C14H17Br3O3 MolecularWeight: 472.99498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C(=C(C(=C1O)Br)Br)Br)C(=O)OC

Isomeric SMILES

CCCCCCC1=C(C(=C(C(=C1O)Br)Br)Br)C(=O)OC

InChI

InChI=1S/C14H17Br3O3/c1-3-4-5-6-7-8-9(14(19)20-2)10(15)11(16)12(17)13(8)18/h18H,3-7H2,1-2H3