4-[3-ethanoyl-5-ethyl-2,4,6-tris(iodanyl)phenyl]-2-nitro-benzoic acid

Systemtic Name: 4-[3-ethanoyl-5-ethyl-2,4,6-tris(iodanyl)phenyl]-2-nitro-benzoic acid Openeye Name: 4-(3-acetyl-5-ethyl-2,4,6-triiodo-phenyl)-2-nitro-benzoic acid CAS Name: 4-(3-acetyl-5-ethyl-2,4,6-triiodophenyl)-2-nitrobenzoic acid IUPAC Name: 4-(3-acetyl-5-ethyl-2,4,6-triiodophenyl)-2-nitrobenzoic acid Traditional Name: 4-(3-acetyl-5-ethyl-2,4,6-triiodo-phenyl)-2-nitro-benzoic acid Formula: C17H12I3NO5 MolecularWeight: 690.99429

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=C1I)C(=O)C)I)C2=CC(=C(C=C2)C(=O)O)[N+](=O)[O-])I

Isomeric SMILES

CCC1=C(C(=C(C(=C1I)C(=O)C)I)C2=CC(=C(C=C2)C(=O)O)[N+](=O)[O-])I

InChI

InChI=1S/C17H12I3NO5/c1-3-9-14(18)12(7(2)22)16(20)13(15(9)19)8-4-5-10(17(23)24)11(6-8)21(25)26/h4-6H,3H2,1-2H3,(H,23,24)