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

Systemtic Name: 3-[(E)-3-chloranylprop-2-enyl]sulfonyl-4-methyl-benzoic acid Openeye Name: 3-[(E)-3-chloroallyl]sulfonyl-4-methyl-benzoic acid CAS Name: 3-[(E)-3-chloroprop-2-enyl]sulfonyl-4-methylbenzoic acid IUPAC Name: 3-[(E)-3-chloroprop-2-enyl]sulfonyl-4-methylbenzoic acid Traditional Name: 3-[(E)-3-chloroallyl]sulfonyl-4-methyl-benzoic acid Formula: C11H11ClO4S MolecularWeight: 274.72064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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