3-bromanyl-5-ethoxy-4-(2-ethylsulfonylethoxy)benzoic acid

Systemtic Name: 3-bromanyl-5-ethoxy-4-(2-ethylsulfonylethoxy)benzoic acid Openeye Name: 3-bromo-5-ethoxy-4-(2-ethylsulfonylethoxy)benzoic acid CAS Name: 3-bromo-5-ethoxy-4-(2-ethylsulfonylethoxy)benzoic acid IUPAC Name: 3-bromo-5-ethoxy-4-(2-ethylsulfonylethoxy)benzoic acid Traditional Name: 3-bromo-4-(2-esylethoxy)-5-ethoxy-benzoic acid Formula: C13H17BrO6S MolecularWeight: 381.23948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)O)Br)OCCS(=O)(=O)CC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)O)Br)OCCS(=O)(=O)CC

InChI

InChI=1S/C13H17BrO6S/c1-3-19-11-8-9(13(15)16)7-10(14)12(11)20-5-6-21(17,18)4-2/h7-8H,3-6H2,1-2H3,(H,15,16)