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

Systemtic Name: 4-[2-(2-phenoxyethylsulfanylmethyl)phenyl]benzoic acid Openeye Name: 4-[2-(2-phenoxyethylsulfanylmethyl)phenyl]benzoic acid CAS Name: 4-[2-[(2-phenoxyethylthio)methyl]phenyl]benzoic acid IUPAC Name: 4-[2-(2-phenoxyethylsulfanylmethyl)phenyl]benzoic acid Traditional Name: 4-[2-[(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=C2C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCCSCC2=CC=CC=C2C3=CC=C(C=C3)C(=O)O

InChI

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