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

Systemtic Name: 4-[3,5-diethyl-2,4,6-tris(iodanyl)phenyl]-2-nitro-benzoic acid Openeye Name: 4-(3,5-diethyl-2,4,6-triiodo-phenyl)-2-nitro-benzoic acid CAS Name: 4-(3,5-diethyl-2,4,6-triiodophenyl)-2-nitrobenzoic acid IUPAC Name: 4-(3,5-diethyl-2,4,6-triiodophenyl)-2-nitrobenzoic acid Traditional Name: 4-(3,5-diethyl-2,4,6-triiodo-phenyl)-2-nitro-benzoic acid Formula: C17H14I3NO4 MolecularWeight: 677.01077

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14I3NO4/c1-3-9-14(18)10(4-2)16(20)13(15(9)19)8-5-6-11(17(22)23)12(7-8)21(24)25/h5-7H,3-4H2,1-2H3,(H,22,23)