2-[4-(2-phenoxyethylsulfanylmethyl)phenyl]benzoic acid

Systemtic Name: 2-[4-(2-phenoxyethylsulfanylmethyl)phenyl]benzoic acid Openeye Name: 2-[4-(2-phenoxyethylsulfanylmethyl)phenyl]benzoic acid CAS Name: 2-[4-[(2-phenoxyethylthio)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-(2-phenoxyethylsulfanylmethyl)phenyl]benzoic acid Traditional Name: 2-[4-[(2-phenoxyethylthio)methyl]phenyl]benzoic acid Formula: C22H20O3S MolecularWeight: 364.4574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCSCC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCCSCC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H20O3S/c23-22(24)21-9-5-4-8-20(21)18-12-10-17(11-13-18)16-26-15-14-25-19-6-2-1-3-7-19/h1-13H,14-16H2,(H,23,24)