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

Systemtic Name: 2-[3-[(2-iodanylphenyl)methylsulfanyl]-4-methoxy-phenyl]ethanoic acid Openeye Name: 2-[3-[(2-iodophenyl)methylsulfanyl]-4-methoxy-phenyl]acetic acid CAS Name: 2-[3-[(2-iodophenyl)methylthio]-4-methoxyphenyl]acetic acid IUPAC Name: 2-[3-[(2-iodophenyl)methylsulfanyl]-4-methoxyphenyl]acetic acid Traditional Name: 2-[3-[(2-iodobenzyl)thio]-4-methoxy-phenyl]acetic acid Formula: C16H15IO3S MolecularWeight: 414.25797

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)O)SCC2=CC=CC=C2I

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)O)SCC2=CC=CC=C2I

InChI

InChI=1S/C16H15IO3S/c1-20-14-7-6-11(9-16(18)19)8-15(14)21-10-12-4-2-3-5-13(12)17/h2-8H,9-10H2,1H3,(H,18,19)