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

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

Systemtic Name:4-[(2-methylsulfanyl-6-phenethyl-phenoxy)methyl]benzoic acid
Openeye Name:4-[(2-methylsulfanyl-6-phenethyl-phenoxy)methyl]benzoic acid
CAS Name:4-[[2-(methylthio)-6-phenethylphenoxy]methyl]benzoic acid
IUPAC Name:4-[(2-methylsulfanyl-6-phenethylphenoxy)methyl]benzoic acid
Traditional Name:4-[[2-(methylthio)-6-phenethyl-phenoxy]methyl]benzoic acid
Formula: C23H22O3S
MolecularWeight: 378.48398
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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1OCC2=CC=C(C=C2)C(=O)O)CCC3=CC=CC=C3


Isomeric SMILES

CSC1=CC=CC(=C1OCC2=CC=C(C=C2)C(=O)O)CCC3=CC=CC=C3


InChI

InChI=1S/C23H22O3S/c1-27-21-9-5-8-19(13-10-17-6-3-2-4-7-17)22(21)26-16-18-11-14-20(15-12-18)23(24)25/h2-9,11-12,14-15H,10,13,16H2,1H3,(H,24,25)


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