3-[(E)-but-2-enyl]sulfonyl-5-chloranyl-2-methoxy-benzoic acid

Systemtic Name: 3-[(E)-but-2-enyl]sulfonyl-5-chloranyl-2-methoxy-benzoic acid Openeye Name: 3-[(E)-but-2-enyl]sulfonyl-5-chloro-2-methoxy-benzoic acid CAS Name: 3-[(E)-but-2-enyl]sulfonyl-5-chloro-2-methoxybenzoic acid IUPAC Name: 3-[(E)-but-2-enyl]sulfonyl-5-chloro-2-methoxybenzoic acid Traditional Name: 3-[(E)-but-2-enyl]sulfonyl-5-chloro-2-methoxy-benzoic acid Formula: C12H13ClO5S MolecularWeight: 304.74662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CCS(=O)(=O)C1=C(C(=CC(=C1)Cl)C(=O)O)OC

Isomeric SMILES

C/C=C/CS(=O)(=O)C1=C(C(=CC(=C1)Cl)C(=O)O)OC

InChI

InChI=1S/C12H13ClO5S/c1-3-4-5-19(16,17)10-7-8(13)6-9(12(14)15)11(10)18-2/h3-4,6-7H,5H2,1-2H3,(H,14,15)/b4-3+