3-[3-(2-decoxyphenoxy)-2-oxidanylidene-propyl]sulfanylpropanoic acid

Systemtic Name: 3-[3-(2-decoxyphenoxy)-2-oxidanylidene-propyl]sulfanylpropanoic acid Openeye Name: 3-[3-(2-decoxyphenoxy)-2-oxo-propyl]sulfanylpropanoic acid CAS Name: 3-[[3-(2-decoxyphenoxy)-2-oxopropyl]thio]propanoic acid IUPAC Name: 3-[3-(2-decoxyphenoxy)-2-oxopropyl]sulfanylpropanoic acid Traditional Name: 3-[[3-(2-decoxyphenoxy)-2-keto-propyl]thio]propionic acid Formula: C22H34O5S MolecularWeight: 410.56736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=CC=C1OCC(=O)CSCCC(=O)O

Isomeric SMILES

CCCCCCCCCCOC1=CC=CC=C1OCC(=O)CSCCC(=O)O

InChI

InChI=1S/C22H34O5S/c1-2-3-4-5-6-7-8-11-15-26-20-12-9-10-13-21(20)27-17-19(23)18-28-16-14-22(24)25/h9-10,12-13H,2-8,11,14-18H2,1H3,(H,24,25)