hexyl 3-[tris(bromanyl)methylsulfonyl]benzoate

Systemtic Name: hexyl 3-[tris(bromanyl)methylsulfonyl]benzoate Openeye Name: hexyl 3-(tribromomethylsulfonyl)benzoate CAS Name: 3-(tribromomethylsulfonyl)benzoic acid hexyl ester IUPAC Name: hexyl 3-(tribromomethylsulfonyl)benzoate Traditional Name: 3-(tribromomethylsulfonyl)benzoic acid hexyl ester Formula: C14H17Br3O4S MolecularWeight: 521.05938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC(=CC=C1)S(=O)(=O)C(Br)(Br)Br

Isomeric SMILES

CCCCCCOC(=O)C1=CC(=CC=C1)S(=O)(=O)C(Br)(Br)Br

InChI

InChI=1S/C14H17Br3O4S/c1-2-3-4-5-9-21-13(18)11-7-6-8-12(10-11)22(19,20)14(15,16)17/h6-8,10H,2-5,9H2,1H3