4-[3-ethanoyl-2,4,6-tris(iodanyl)phenyl]-2-nitro-benzoic acid

Systemtic Name: 4-[3-ethanoyl-2,4,6-tris(iodanyl)phenyl]-2-nitro-benzoic acid Openeye Name: 4-(3-acetyl-2,4,6-triiodo-phenyl)-2-nitro-benzoic acid CAS Name: 4-(3-acetyl-2,4,6-triiodophenyl)-2-nitrobenzoic acid IUPAC Name: 4-(3-acetyl-2,4,6-triiodophenyl)-2-nitrobenzoic acid Traditional Name: 4-(3-acetyl-2,4,6-triiodo-phenyl)-2-nitro-benzoic acid Formula: C15H8I3NO5 MolecularWeight: 662.94113

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C(=C1I)C2=CC(=C(C=C2)C(=O)O)[N+](=O)[O-])I)I

Isomeric SMILES

CC(=O)C1=C(C=C(C(=C1I)C2=CC(=C(C=C2)C(=O)O)[N+](=O)[O-])I)I

InChI

InChI=1S/C15H8I3NO5/c1-6(20)12-9(16)5-10(17)13(14(12)18)7-2-3-8(15(21)22)11(4-7)19(23)24/h2-5H,1H3,(H,21,22)