5-[(E)-3-chloranylprop-2-enyl]sulfonyl-2,4-dimethyl-benzoic acid

Systemtic Name: 5-[(E)-3-chloranylprop-2-enyl]sulfonyl-2,4-dimethyl-benzoic acid Openeye Name: 5-[(E)-3-chloroallyl]sulfonyl-2,4-dimethyl-benzoic acid CAS Name: 5-[(E)-3-chloroprop-2-enyl]sulfonyl-2,4-dimethylbenzoic acid IUPAC Name: 5-[(E)-3-chloroprop-2-enyl]sulfonyl-2,4-dimethylbenzoic acid Traditional Name: 5-[(E)-3-chloroallyl]sulfonyl-2,4-dimethyl-benzoic acid Formula: C12H13ClO4S MolecularWeight: 288.74722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)CC=CCl)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C/C=C/Cl)C

InChI

InChI=1S/C12H13ClO4S/c1-8-6-9(2)11(7-10(8)12(14)15)18(16,17)5-3-4-13/h3-4,6-7H,5H2,1-2H3,(H,14,15)/b4-3+