(Z)-2-methyl-5-oxidanyl-6-[2,3,5-tris(iodanyl)phenyl]carbonyloxy-hex-2-enoic acid

Systemtic Name: (Z)-2-methyl-5-oxidanyl-6-[2,3,5-tris(iodanyl)phenyl]carbonyloxy-hex-2-enoic acid Openeye Name: (Z)-5-hydroxy-2-methyl-6-(2,3,5-triiodobenzoyl)oxy-hex-2-enoic acid CAS Name: (Z)-5-hydroxy-2-methyl-6-[oxo-(2,3,5-triiodophenyl)methoxy]-2-hexenoic acid IUPAC Name: (Z)-5-hydroxy-2-methyl-6-(2,3,5-triiodobenzoyl)oxyhex-2-enoic acid Traditional Name: (Z)-5-hydroxy-2-methyl-6-(2,3,5-triiodobenzoyl)oxy-hex-2-enoic acid Formula: C14H13I3O5 MolecularWeight: 641.96343

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC(COC(=O)C1=CC(=CC(=C1I)I)I)O)C(=O)O

Isomeric SMILES

C/C(=C/CC(COC(=O)C1=CC(=CC(=C1I)I)I)O)/C(=O)O

InChI

InChI=1S/C14H13I3O5/c1-7(13(19)20)2-3-9(18)6-22-14(21)10-4-8(15)5-11(16)12(10)17/h2,4-5,9,18H,3,6H2,1H3,(H,19,20)/b7-2-