2-[3-(2-phenoxyethylsulfanylmethyl)phenyl]benzoic acid

Systemtic Name: 2-[3-(2-phenoxyethylsulfanylmethyl)phenyl]benzoic acid Openeye Name: 2-[3-(2-phenoxyethylsulfanylmethyl)phenyl]benzoic acid CAS Name: 2-[3-[(2-phenoxyethylthio)methyl]phenyl]benzoic acid IUPAC Name: 2-[3-(2-phenoxyethylsulfanylmethyl)phenyl]benzoic acid Traditional Name: 2-[3-[(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=CC(=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

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

InChI

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