(Z)-2,5-dimethyl-6-oxidanylidene-6-[2,3,5-tris(iodanyl)phenyl]hex-2-enoate

Systemtic Name: (Z)-2,5-dimethyl-6-oxidanylidene-6-[2,3,5-tris(iodanyl)phenyl]hex-2-enoate Openeye Name: (Z)-2,5-dimethyl-6-oxo-6-(2,3,5-triiodophenyl)hex-2-enoate CAS Name: (Z)-2,5-dimethyl-6-oxo-6-(2,3,5-triiodophenyl)-2-hexenoate IUPAC Name: (Z)-2,5-dimethyl-6-oxo-6-(2,3,5-triiodophenyl)hex-2-enoate Traditional Name: (Z)-6-keto-2,5-dimethyl-6-(2,3,5-triiodophenyl)hex-2-enoate Formula: C14H12I3O3- MolecularWeight: 608.95669

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=C(C)C(=O)[O-])C(=O)C1=CC(=CC(=C1I)I)I

Isomeric SMILES

CC(C/C=C(/C)\C(=O)[O-])C(=O)C1=CC(=CC(=C1I)I)I

InChI

InChI=1S/C14H13I3O3/c1-7(3-4-8(2)14(19)20)13(18)10-5-9(15)6-11(16)12(10)17/h4-7H,3H2,1-2H3,(H,19,20)/p-1/b8-4-