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

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C=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)11-4-2-3-9(7-11)5-6-10(13)8-12(14)15/h2-7H,8H2,1H3,(H,14,15)/b6-5+