(E)-5-(2-methylsulfonylphenyl)-3-oxidanylidene-pent-4-enoic acid

Systemtic Name: (E)-5-(2-methylsulfonylphenyl)-3-oxidanylidene-pent-4-enoic acid Openeye Name: (E)-5-(2-methylsulfonylphenyl)-3-oxo-pent-4-enoic acid CAS Name: (E)-5-(2-methylsulfonylphenyl)-3-oxo-4-pentenoic acid IUPAC Name: (E)-5-(2-methylsulfonylphenyl)-3-oxopent-4-enoic acid Traditional Name: (E)-3-keto-5-(2-mesylphenyl)pent-4-enoic acid Formula: C12H12O5S MolecularWeight: 268.28568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C=CC(=O)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H12O5S/c1-18(16,17)11-5-3-2-4-9(11)6-7-10(13)8-12(14)15/h2-7H,8H2,1H3,(H,14,15)/b7-6+