tert-butyl 3-[3-[4-(naphthalen-2-ylmethoxy)phenoxy]-2-oxidanyl-propyl]sulfanylpropanoate

Systemtic Name: tert-butyl 3-[3-[4-(naphthalen-2-ylmethoxy)phenoxy]-2-oxidanyl-propyl]sulfanylpropanoate Openeye Name: tert-butyl 3-[2-hydroxy-3-[4-(2-naphthylmethoxy)phenoxy]propyl]sulfanylpropanoate CAS Name: 3-[[2-hydroxy-3-[4-(2-naphthalenylmethoxy)phenoxy]propyl]thio]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-hydroxy-3-[4-(naphthalen-2-ylmethoxy)phenoxy]propyl]sulfanylpropanoate Traditional Name: 3-[[2-hydroxy-3-[4-(2-naphthylmethoxy)phenoxy]propyl]thio]propionic acid tert-butyl ester Formula: C27H32O5S MolecularWeight: 468.60498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCSCC(COC1=CC=C(C=C1)OCC2=CC3=CC=CC=C3C=C2)O

Isomeric SMILES

CC(C)(C)OC(=O)CCSCC(COC1=CC=C(C=C1)OCC2=CC3=CC=CC=C3C=C2)O

InChI

InChI=1S/C27H32O5S/c1-27(2,3)32-26(29)14-15-33-19-23(28)18-31-25-12-10-24(11-13-25)30-17-20-8-9-21-6-4-5-7-22(21)16-20/h4-13,16,23,28H,14-15,17-19H2,1-3H3