(4-iodophenyl) 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: (4-iodophenyl) 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: (4-iodophenyl) 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid (4-iodophenyl) ester IUPAC Name: (4-iodophenyl) 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid (4-iodophenyl) ester Formula: C15H13IO3S MolecularWeight: 400.23139

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)OC2=CC=C(C=C2)I

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)OC2=CC=C(C=C2)I

InChI

InChI=1S/C15H13IO3S/c1-18-14-9-12(20-2)7-8-13(14)15(17)19-11-5-3-10(16)4-6-11/h3-9H,1-2H3