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

Systemtic Name: 2-(2-phenoxyethylsulfanylmethyl)-3-phenyl-benzoic acid Openeye Name: 2-(2-phenoxyethylsulfanylmethyl)-3-phenyl-benzoic acid CAS Name: 2-[(2-phenoxyethylthio)methyl]-3-phenylbenzoic acid IUPAC Name: 2-(2-phenoxyethylsulfanylmethyl)-3-phenylbenzoic acid Traditional Name: 2-[(2-phenoxyethylthio)methyl]-3-phenyl-benzoic acid Formula: C22H20O3S MolecularWeight: 364.4574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=CC=C2)C(=O)O)CSCCOC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=CC=C2)C(=O)O)CSCCOC3=CC=CC=C3

InChI

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