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4-[[2-(methylsulfinylmethyl)-6-phenethyl-phenoxy]methyl]benzoic acid

4-[[2-(methylsulfinylmethyl)-6-phenethyl-phenoxy]methyl]benzoic acid

Systemtic Name:4-[[2-(methylsulfinylmethyl)-6-phenethyl-phenoxy]methyl]benzoic acid
Openeye Name:4-[[2-(methylsulfinylmethyl)-6-phenethyl-phenoxy]methyl]benzoic acid
CAS Name:4-[[2-(methylsulfinylmethyl)-6-phenethylphenoxy]methyl]benzoic acid
IUPAC Name:4-[[2-(methylsulfinylmethyl)-6-phenethylphenoxy]methyl]benzoic acid
Traditional Name:4-[[2-(methylsulfinylmethyl)-6-phenethyl-phenoxy]methyl]benzoic acid
Formula: C24H24O4S
MolecularWeight: 408.50996
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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)CC1=CC=CC(=C1OCC2=CC=C(C=C2)C(=O)O)CCC3=CC=CC=C3


Isomeric SMILES

CS(=O)CC1=CC=CC(=C1OCC2=CC=C(C=C2)C(=O)O)CCC3=CC=CC=C3


InChI

InChI=1S/C24H24O4S/c1-29(27)17-22-9-5-8-20(13-10-18-6-3-2-4-7-18)23(22)28-16-19-11-14-21(15-12-19)24(25)26/h2-9,11-12,14-15H,10,13,16-17H2,1H3,(H,25,26)


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