3-[4-(2-phenoxyethylsulfanylmethyl)phenyl]benzoic acid

Systemtic Name: 3-[4-(2-phenoxyethylsulfanylmethyl)phenyl]benzoic acid Openeye Name: 3-[4-(2-phenoxyethylsulfanylmethyl)phenyl]benzoic acid CAS Name: 3-[4-[(2-phenoxyethylthio)methyl]phenyl]benzoic acid IUPAC Name: 3-[4-(2-phenoxyethylsulfanylmethyl)phenyl]benzoic acid Traditional Name: 3-[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=C3)C(=O)O

Isomeric SMILES

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

InChI

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