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

Systemtic Name: butyl 4-[[2-(methylsulfinylmethyl)-6-phenethyl-phenoxy]methyl]benzoate Openeye Name: butyl 4-[[2-(methylsulfinylmethyl)-6-phenethyl-phenoxy]methyl]benzoate CAS Name: 4-[[2-(methylsulfinylmethyl)-6-phenethylphenoxy]methyl]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(methylsulfinylmethyl)-6-phenethylphenoxy]methyl]benzoate Traditional Name: 4-[[2-(methylsulfinylmethyl)-6-phenethyl-phenoxy]methyl]benzoic acid butyl ester Formula: C28H32O4S MolecularWeight: 464.61628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)COC2=C(C=CC=C2CS(=O)C)CCC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)COC2=C(C=CC=C2CS(=O)C)CCC3=CC=CC=C3

InChI

InChI=1S/C28H32O4S/c1-3-4-19-31-28(29)25-17-14-23(15-18-25)20-32-27-24(11-8-12-26(27)21-33(2)30)16-13-22-9-6-5-7-10-22/h5-12,14-15,17-18H,3-4,13,16,19-21H2,1-2H3