tert-butyl 4-[[2-(methylsulfanylmethyl)-6-phenethyl-phenoxy]methyl]benzoate

Systemtic Name: tert-butyl 4-[[2-(methylsulfanylmethyl)-6-phenethyl-phenoxy]methyl]benzoate Openeye Name: tert-butyl 4-[[2-(methylsulfanylmethyl)-6-phenethyl-phenoxy]methyl]benzoate CAS Name: 4-[[2-[(methylthio)methyl]-6-phenethylphenoxy]methyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-(methylsulfanylmethyl)-6-phenethylphenoxy]methyl]benzoate Traditional Name: 4-[[2-[(methylthio)methyl]-6-phenethyl-phenoxy]methyl]benzoic acid tert-butyl ester Formula: C28H32O3S MolecularWeight: 448.61688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)COC2=C(C=CC=C2CSC)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)COC2=C(C=CC=C2CSC)CCC3=CC=CC=C3

InChI

InChI=1S/C28H32O3S/c1-28(2,3)31-27(29)24-17-14-22(15-18-24)19-30-26-23(11-8-12-25(26)20-32-4)16-13-21-9-6-5-7-10-21/h5-12,14-15,17-18H,13,16,19-20H2,1-4H3