3-[4-[(E)-3-chloranylprop-2-enyl]sulfonylphenyl]propanoic acid

Systemtic Name: 3-[4-[(E)-3-chloranylprop-2-enyl]sulfonylphenyl]propanoic acid Openeye Name: 3-[4-[(E)-3-chloroallyl]sulfonylphenyl]propanoic acid CAS Name: 3-[4-[(E)-3-chloroprop-2-enyl]sulfonylphenyl]propanoic acid IUPAC Name: 3-[4-[(E)-3-chloroprop-2-enyl]sulfonylphenyl]propanoic acid Traditional Name: 3-[4-[(E)-3-chloroallyl]sulfonylphenyl]propionic acid Formula: C12H13ClO4S MolecularWeight: 288.74722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)S(=O)(=O)CC=CCl

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)S(=O)(=O)C/C=C/Cl

InChI

InChI=1S/C12H13ClO4S/c13-8-1-9-18(16,17)11-5-2-10(3-6-11)4-7-12(14)15/h1-3,5-6,8H,4,7,9H2,(H,14,15)/b8-1+