2-[3-[3-(4-bromophenyl)sulfonylpropyl]phenoxy]ethanoic acid

Systemtic Name: 2-[3-[3-(4-bromophenyl)sulfonylpropyl]phenoxy]ethanoic acid Openeye Name: 2-[3-[3-(4-bromophenyl)sulfonylpropyl]phenoxy]acetic acid CAS Name: 2-[3-[3-(4-bromophenyl)sulfonylpropyl]phenoxy]acetic acid IUPAC Name: 2-[3-[3-(4-bromophenyl)sulfonylpropyl]phenoxy]acetic acid Traditional Name: 2-[3-(3-brosylpropyl)phenoxy]acetic acid Formula: C17H17BrO5S MolecularWeight: 413.28288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCC(=O)O)CCCS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1=CC(=CC(=C1)OCC(=O)O)CCCS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H17BrO5S/c18-14-6-8-16(9-7-14)24(21,22)10-2-4-13-3-1-5-15(11-13)23-12-17(19)20/h1,3,5-9,11H,2,4,10,12H2,(H,19,20)