4-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propyl]sulfonylphenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-oxidanyl-propyl]sulfonylphenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propyl]sulfonylphenyl]-4-oxo-butanoic acid CAS Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropyl]sulfonylphenyl]-4-oxobutanoic acid IUPAC Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropyl]sulfonylphenyl]-4-oxobutanoic acid Traditional Name: 4-[4-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-hydroxy-propyl]sulfonylphenyl]-4-keto-butyric acid Formula: C24H28O9S MolecularWeight: 492.53872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(CS(=O)(=O)C2=CC=C(C=C2)C(=O)CCC(=O)O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCC(CS(=O)(=O)C2=CC=C(C=C2)C(=O)CCC(=O)O)O

InChI

InChI=1S/C24H28O9S/c1-3-4-20-22(11-9-19(15(2)25)24(20)30)33-13-17(26)14-34(31,32)18-7-5-16(6-8-18)21(27)10-12-23(28)29/h5-9,11,17,26,30H,3-4,10,12-14H2,1-2H3,(H,28,29)