2-phenylmethoxy-4-(phenylmethylsulfanyl)benzoic acid

Systemtic Name: 2-phenylmethoxy-4-(phenylmethylsulfanyl)benzoic acid Openeye Name: 2-benzyloxy-4-benzylsulfanyl-benzoic acid CAS Name: 2-phenylmethoxy-4-(phenylmethylthio)benzoic acid IUPAC Name: 4-benzylsulfanyl-2-phenylmethoxybenzoic acid Traditional Name: 2-benzoxy-4-(benzylthio)benzoic acid Formula: C21H18O3S MolecularWeight: 350.43082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=CC(=C2)SCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=CC(=C2)SCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H18O3S/c22-21(23)19-12-11-18(25-15-17-9-5-2-6-10-17)13-20(19)24-14-16-7-3-1-4-8-16/h1-13H,14-15H2,(H,22,23)