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

Systemtic Name: 2-[(2-methylsulfanyl-6-phenethyl-phenoxy)methyl]benzoic acid Openeye Name: 2-[(2-methylsulfanyl-6-phenethyl-phenoxy)methyl]benzoic acid CAS Name: 2-[[2-(methylthio)-6-phenethylphenoxy]methyl]benzoic acid IUPAC Name: 2-[(2-methylsulfanyl-6-phenethylphenoxy)methyl]benzoic acid Traditional Name: 2-[[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=CC=C2C(=O)O)CCC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC(=C1OCC2=CC=CC=C2C(=O)O)CCC3=CC=CC=C3

InChI

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