5-(2-chloranylprop-2-enylsulfonyl)-2-methyl-benzoic acid

Systemtic Name: 5-(2-chloranylprop-2-enylsulfonyl)-2-methyl-benzoic acid Openeye Name: 5-(2-chloroallylsulfonyl)-2-methyl-benzoic acid CAS Name: 5-(2-chloroprop-2-enylsulfonyl)-2-methylbenzoic acid IUPAC Name: 5-(2-chloroprop-2-enylsulfonyl)-2-methylbenzoic acid Traditional Name: 5-(2-chloroallylsulfonyl)-2-methyl-benzoic acid Formula: C11H11ClO4S MolecularWeight: 274.72064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)CC(=C)Cl)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)CC(=C)Cl)C(=O)O

InChI

InChI=1S/C11H11ClO4S/c1-7-3-4-9(5-10(7)11(13)14)17(15,16)6-8(2)12/h3-5H,2,6H2,1H3,(H,13,14)