3-azanyl-5-[butyl(ethanoyl)amino]-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3-azanyl-5-[butyl(ethanoyl)amino]-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-[acetyl(butyl)amino]-5-amino-2,4,6-triiodo-benzoic acid CAS Name: 3-[acetyl(butyl)amino]-5-amino-2,4,6-triiodobenzoic acid IUPAC Name: 3-[acetyl(butyl)amino]-5-amino-2,4,6-triiodobenzoic acid Traditional Name: 3-[acetyl(butyl)amino]-5-amino-2,4,6-triiodo-benzoic acid Formula: C13H15I3N2O3 MolecularWeight: 627.98321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(C(=C(C(=C1I)N)I)C(=O)O)I)C(=O)C

Isomeric SMILES

CCCCN(C1=C(C(=C(C(=C1I)N)I)C(=O)O)I)C(=O)C

InChI

InChI=1S/C13H15I3N2O3/c1-3-4-5-18(6(2)19)12-9(15)7(13(20)21)8(14)11(17)10(12)16/h3-5,17H2,1-2H3,(H,20,21)