3-(4-acetyloxy-3-iodanyl-5-methoxy-phenyl)propanoic acid

Systemtic Name: 3-(4-acetyloxy-3-iodanyl-5-methoxy-phenyl)propanoic acid Openeye Name: 3-(4-acetoxy-3-iodo-5-methoxy-phenyl)propanoic acid CAS Name: 3-(4-acetyloxy-3-iodo-5-methoxyphenyl)propanoic acid IUPAC Name: 3-(4-acetyloxy-3-iodo-5-methoxyphenyl)propanoic acid Traditional Name: 3-(4-acetoxy-3-iodo-5-methoxy-phenyl)propionic acid Formula: C12H13IO5 MolecularWeight: 364.13309

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1I)CCC(=O)O)OC

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1I)CCC(=O)O)OC

InChI

InChI=1S/C12H13IO5/c1-7(14)18-12-9(13)5-8(3-4-11(15)16)6-10(12)17-2/h5-6H,3-4H2,1-2H3,(H,15,16)