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

Systemtic Name: tert-butyl 3-[3-(4-decoxyphenoxy)-2-oxidanyl-propyl]sulfanylpropanoate Openeye Name: tert-butyl 3-[3-(4-decoxyphenoxy)-2-hydroxy-propyl]sulfanylpropanoate CAS Name: 3-[[3-(4-decoxyphenoxy)-2-hydroxypropyl]thio]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-(4-decoxyphenoxy)-2-hydroxypropyl]sulfanylpropanoate Traditional Name: 3-[[3-(4-decoxyphenoxy)-2-hydroxy-propyl]thio]propionic acid tert-butyl ester Formula: C26H44O5S MolecularWeight: 468.68956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H44O5S/c1-5-6-7-8-9-10-11-12-18-29-23-13-15-24(16-14-23)30-20-22(27)21-32-19-17-25(28)31-26(2,3)4/h13-16,22,27H,5-12,17-21H2,1-4H3