2-ethanoyl-3-(4-methylsulfonylphenyl)-4-oxidanylidene-hexanoic acid

Systemtic Name: 2-ethanoyl-3-(4-methylsulfonylphenyl)-4-oxidanylidene-hexanoic acid Openeye Name: 2-acetyl-3-(4-methylsulfonylphenyl)-4-oxo-hexanoic acid CAS Name: 2-acetyl-3-(4-methylsulfonylphenyl)-4-oxohexanoic acid IUPAC Name: 2-acetyl-3-(4-methylsulfonylphenyl)-4-oxohexanoic acid Traditional Name: 2-acetyl-4-keto-3-(4-mesylphenyl)hexanoic acid Formula: C15H18O6S MolecularWeight: 326.36482

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C1=CC=C(C=C1)S(=O)(=O)C)C(C(=O)C)C(=O)O

Isomeric SMILES

CCC(=O)C(C1=CC=C(C=C1)S(=O)(=O)C)C(C(=O)C)C(=O)O

InChI

InChI=1S/C15H18O6S/c1-4-12(17)14(13(9(2)16)15(18)19)10-5-7-11(8-6-10)22(3,20)21/h5-8,13-14H,4H2,1-3H3,(H,18,19)