4-[2-(5-methylsulfanyl-2-phenylmethoxy-phenyl)ethyl]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[2-(5-methylsulfanyl-2-phenylmethoxy-phenyl)ethyl]-2-oxidanyl-benzoic acid Openeye Name: 4-[2-(2-benzyloxy-5-methylsulfanyl-phenyl)ethyl]-2-hydroxy-benzoic acid CAS Name: 2-hydroxy-4-[2-[5-(methylthio)-2-phenylmethoxyphenyl]ethyl]benzoic acid IUPAC Name: 2-hydroxy-4-[2-(5-methylsulfanyl-2-phenylmethoxyphenyl)ethyl]benzoic acid Traditional Name: 4-[2-[2-benzoxy-5-(methylthio)phenyl]ethyl]-2-hydroxy-benzoic acid Formula: C23H22O4S MolecularWeight: 394.48338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22O4S/c1-28-19-10-12-22(27-15-17-5-3-2-4-6-17)18(14-19)9-7-16-8-11-20(23(25)26)21(24)13-16/h2-6,8,10-14,24H,7,9,15H2,1H3,(H,25,26)