3-[3-(4-decoxyphenoxy)-2-oxidanyl-propyl]sulfanylpropanoic acid

Systemtic Name: 3-[3-(4-decoxyphenoxy)-2-oxidanyl-propyl]sulfanylpropanoic acid Openeye Name: 3-[3-(4-decoxyphenoxy)-2-hydroxy-propyl]sulfanylpropanoic acid CAS Name: 3-[[3-(4-decoxyphenoxy)-2-hydroxypropyl]thio]propanoic acid IUPAC Name: 3-[3-(4-decoxyphenoxy)-2-hydroxypropyl]sulfanylpropanoic acid Traditional Name: 3-[[3-(4-decoxyphenoxy)-2-hydroxy-propyl]thio]propionic acid Formula: C22H36O5S MolecularWeight: 412.58324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)OCC(CSCCC(=O)O)O

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)OCC(CSCCC(=O)O)O

InChI

InChI=1S/C22H36O5S/c1-2-3-4-5-6-7-8-9-15-26-20-10-12-21(13-11-20)27-17-19(23)18-28-16-14-22(24)25/h10-13,19,23H,2-9,14-18H2,1H3,(H,24,25)