(E)-3-[5-bromanyl-2-(2-ethylsulfonylethoxy)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[5-bromanyl-2-(2-ethylsulfonylethoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[5-bromo-2-(2-ethylsulfonylethoxy)phenyl]prop-2-enoic acid CAS Name: (E)-3-[5-bromo-2-(2-ethylsulfonylethoxy)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[5-bromo-2-(2-ethylsulfonylethoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[5-bromo-2-(2-esylethoxy)phenyl]acrylic acid Formula: C13H15BrO5S MolecularWeight: 363.2242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCS(=O)(=O)CCOC1=C(C=C(C=C1)Br)/C=C/C(=O)O

InChI

InChI=1S/C13H15BrO5S/c1-2-20(17,18)8-7-19-12-5-4-11(14)9-10(12)3-6-13(15)16/h3-6,9H,2,7-8H2,1H3,(H,15,16)/b6-3+