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

Systemtic Name: tert-butyl 3-[2-oxidanyl-3-(4-tetradecoxyphenoxy)propyl]sulfanylpropanoate Openeye Name: tert-butyl 3-[2-hydroxy-3-(4-tetradecoxyphenoxy)propyl]sulfanylpropanoate CAS Name: 3-[[2-hydroxy-3-(4-tetradecoxyphenoxy)propyl]thio]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-hydroxy-3-(4-tetradecoxyphenoxy)propyl]sulfanylpropanoate Traditional Name: 3-[[2-hydroxy-3-(4-myristyloxyphenoxy)propyl]thio]propionic acid tert-butyl ester Formula: C30H52O5S MolecularWeight: 524.79588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)OCC(CSCCC(=O)OC(C)(C)C)O

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)OCC(CSCCC(=O)OC(C)(C)C)O

InChI

InChI=1S/C30H52O5S/c1-5-6-7-8-9-10-11-12-13-14-15-16-22-33-27-17-19-28(20-18-27)34-24-26(31)25-36-23-21-29(32)35-30(2,3)4/h17-20,26,31H,5-16,21-25H2,1-4H3