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

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

Isomeric SMILES

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

InChI

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