3-(hexylamino)-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3-(hexylamino)-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-(hexylamino)-2,4,6-triiodo-benzoic acid CAS Name: 3-(hexylamino)-2,4,6-triiodobenzoic acid IUPAC Name: 3-(hexylamino)-2,4,6-triiodobenzoic acid Traditional Name: 3-(hexylamino)-2,4,6-triiodo-benzoic acid Formula: C13H16I3NO2 MolecularWeight: 598.98505

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=C(C=C(C(=C1I)C(=O)O)I)I

Isomeric SMILES

CCCCCCNC1=C(C=C(C(=C1I)C(=O)O)I)I

InChI

InChI=1S/C13H16I3NO2/c1-2-3-4-5-6-17-12-9(15)7-8(14)10(11(12)16)13(18)19/h7,17H,2-6H2,1H3,(H,18,19)