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

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

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

Canonical SMILES:

CSC1=CC(=C(C=C1)OCC2=CC=C(C=C2)C(=O)O)CCC3=CC=CC=C3


Isomeric SMILES

CSC1=CC(=C(C=C1)OCC2=CC=C(C=C2)C(=O)O)CCC3=CC=CC=C3


InChI

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


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