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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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