3-[(E)-3-chloranylprop-2-enyl]sulfonyl-4-ethyl-benzoic acid

Systemtic Name: 3-[(E)-3-chloranylprop-2-enyl]sulfonyl-4-ethyl-benzoic acid Openeye Name: 3-[(E)-3-chloroallyl]sulfonyl-4-ethyl-benzoic acid CAS Name: 3-[(E)-3-chloroprop-2-enyl]sulfonyl-4-ethylbenzoic acid IUPAC Name: 3-[(E)-3-chloroprop-2-enyl]sulfonyl-4-ethylbenzoic acid Traditional Name: 3-[(E)-3-chloroallyl]sulfonyl-4-ethyl-benzoic acid Formula: C12H13ClO4S MolecularWeight: 288.74722

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC=CCl

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)C/C=C/Cl

InChI

InChI=1S/C12H13ClO4S/c1-2-9-4-5-10(12(14)15)8-11(9)18(16,17)7-3-6-13/h3-6,8H,2,7H2,1H3,(H,14,15)/b6-3+