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

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

Isomeric SMILES

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

InChI

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