tert-butyl 5-[3-(4-decoxyphenoxy)-2-oxidanyl-propyl]sulfanylpentanoate

Systemtic Name: tert-butyl 5-[3-(4-decoxyphenoxy)-2-oxidanyl-propyl]sulfanylpentanoate Openeye Name: tert-butyl 5-[3-(4-decoxyphenoxy)-2-hydroxy-propyl]sulfanylpentanoate CAS Name: 5-[[3-(4-decoxyphenoxy)-2-hydroxypropyl]thio]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 5-[3-(4-decoxyphenoxy)-2-hydroxypropyl]sulfanylpentanoate Traditional Name: 5-[[3-(4-decoxyphenoxy)-2-hydroxy-propyl]thio]valeric acid tert-butyl ester Formula: C28H48O5S MolecularWeight: 496.74272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H48O5S/c1-5-6-7-8-9-10-11-13-20-31-25-16-18-26(19-17-25)32-22-24(29)23-34-21-14-12-15-27(30)33-28(2,3)4/h16-19,24,29H,5-15,20-23H2,1-4H3