5-(2-chloranylprop-2-enylsulfonyl)-2,4-dimethyl-benzoic acid

Systemtic Name: 5-(2-chloranylprop-2-enylsulfonyl)-2,4-dimethyl-benzoic acid Openeye Name: 5-(2-chloroallylsulfonyl)-2,4-dimethyl-benzoic acid CAS Name: 5-(2-chloroprop-2-enylsulfonyl)-2,4-dimethylbenzoic acid IUPAC Name: 5-(2-chloroprop-2-enylsulfonyl)-2,4-dimethylbenzoic acid Traditional Name: 5-(2-chloroallylsulfonyl)-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(=C)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClO4S/c1-7-4-8(2)11(5-10(7)12(14)15)18(16,17)6-9(3)13/h4-5H,3,6H2,1-2H3,(H,14,15)