3-[3-(4-decoxyphenoxy)-2-oxidanylidene-propyl]sulfonylpropanoic acid

Systemtic Name: 3-[3-(4-decoxyphenoxy)-2-oxidanylidene-propyl]sulfonylpropanoic acid Openeye Name: 3-[3-(4-decoxyphenoxy)-2-oxo-propyl]sulfonylpropanoic acid CAS Name: 3-[3-(4-decoxyphenoxy)-2-oxopropyl]sulfonylpropanoic acid IUPAC Name: 3-[3-(4-decoxyphenoxy)-2-oxopropyl]sulfonylpropanoic acid Traditional Name: 3-[3-(4-decoxyphenoxy)-2-keto-propyl]sulfonylpropionic acid Formula: C22H34O7S MolecularWeight: 442.56616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)OCC(=O)CS(=O)(=O)CCC(=O)O

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)OCC(=O)CS(=O)(=O)CCC(=O)O

InChI

InChI=1S/C22H34O7S/c1-2-3-4-5-6-7-8-9-15-28-20-10-12-21(13-11-20)29-17-19(23)18-30(26,27)16-14-22(24)25/h10-13H,2-9,14-18H2,1H3,(H,24,25)