[4-(4-bromophenyl)-2-(methylsulfonyloxymethyl)butyl] ethanoate

Systemtic Name: [4-(4-bromophenyl)-2-(methylsulfonyloxymethyl)butyl] ethanoate Openeye Name: [4-(4-bromophenyl)-2-(methylsulfonyloxymethyl)butyl] acetate CAS Name: acetic acid [4-(4-bromophenyl)-2-(methylsulfonyloxymethyl)butyl] ester IUPAC Name: [4-(4-bromophenyl)-2-(methylsulfonyloxymethyl)butyl] acetate Traditional Name: acetic acid [4-(4-bromophenyl)-2-(methylsulfonyloxymethyl)butyl] ester Formula: C14H19BrO5S MolecularWeight: 379.26666

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC(CCC1=CC=C(C=C1)Br)COS(=O)(=O)C

Isomeric SMILES

CC(=O)OCC(CCC1=CC=C(C=C1)Br)COS(=O)(=O)C

InChI

InChI=1S/C14H19BrO5S/c1-11(16)19-9-13(10-20-21(2,17)18)4-3-12-5-7-14(15)8-6-12/h5-8,13H,3-4,9-10H2,1-2H3