2-[(3-iodanylphenyl)methylsulfanyl]-4-methoxy-benzoic acid

Systemtic Name: 2-[(3-iodanylphenyl)methylsulfanyl]-4-methoxy-benzoic acid Openeye Name: 2-[(3-iodophenyl)methylsulfanyl]-4-methoxy-benzoic acid CAS Name: 2-[(3-iodophenyl)methylthio]-4-methoxybenzoic acid IUPAC Name: 2-[(3-iodophenyl)methylsulfanyl]-4-methoxybenzoic acid Traditional Name: 2-[(3-iodobenzyl)thio]-4-methoxy-benzoic acid Formula: C15H13IO3S MolecularWeight: 400.23139

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)O)SCC2=CC(=CC=C2)I

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)O)SCC2=CC(=CC=C2)I

InChI

InChI=1S/C15H13IO3S/c1-19-12-5-6-13(15(17)18)14(8-12)20-9-10-3-2-4-11(16)7-10/h2-8H,9H2,1H3,(H,17,18)