5-[(E)-3-chloranylprop-2-enyl]sulfonyl-2-methyl-benzoic acid

Systemtic Name: 5-[(E)-3-chloranylprop-2-enyl]sulfonyl-2-methyl-benzoic acid Openeye Name: 5-[(E)-3-chloroallyl]sulfonyl-2-methyl-benzoic acid CAS Name: 5-[(E)-3-chloroprop-2-enyl]sulfonyl-2-methylbenzoic acid IUPAC Name: 5-[(E)-3-chloroprop-2-enyl]sulfonyl-2-methylbenzoic acid Traditional Name: 5-[(E)-3-chloroallyl]sulfonyl-2-methyl-benzoic acid Formula: C11H11ClO4S MolecularWeight: 274.72064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11ClO4S/c1-8-3-4-9(7-10(8)11(13)14)17(15,16)6-2-5-12/h2-5,7H,6H2,1H3,(H,13,14)/b5-2+