tert-butyl 3-[3-(4-hexoxyphenoxy)-2-oxidanyl-propyl]sulfanylpropanoate

Systemtic Name: tert-butyl 3-[3-(4-hexoxyphenoxy)-2-oxidanyl-propyl]sulfanylpropanoate Openeye Name: tert-butyl 3-[3-(4-hexoxyphenoxy)-2-hydroxy-propyl]sulfanylpropanoate CAS Name: 3-[[3-(4-hexoxyphenoxy)-2-hydroxypropyl]thio]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-(4-hexoxyphenoxy)-2-hydroxypropyl]sulfanylpropanoate Traditional Name: 3-[[3-(4-hexoxyphenoxy)-2-hydroxy-propyl]thio]propionic acid tert-butyl ester Formula: C22H36O5S MolecularWeight: 412.58324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)OCC(CSCCC(=O)OC(C)(C)C)O

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)OCC(CSCCC(=O)OC(C)(C)C)O

InChI

InChI=1S/C22H36O5S/c1-5-6-7-8-14-25-19-9-11-20(12-10-19)26-16-18(23)17-28-15-13-21(24)27-22(2,3)4/h9-12,18,23H,5-8,13-17H2,1-4H3