2,4,6-tris(iodanyl)-3,5-bis(pentanoylamino)benzoic acid

Systemtic Name: 2,4,6-tris(iodanyl)-3,5-bis(pentanoylamino)benzoic acid Openeye Name: 2,4,6-triiodo-3,5-bis(pentanoylamino)benzoic acid CAS Name: 2,4,6-triiodo-3,5-bis(1-oxopentylamino)benzoic acid IUPAC Name: 2,4,6-triiodo-3,5-bis(pentanoylamino)benzoic acid Traditional Name: 2,4,6-triiodo-3,5-bis(valerylamino)benzoic acid Formula: C17H21I3N2O4 MolecularWeight: 698.07305

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)CCCC)I

Isomeric SMILES

CCCCC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)CCCC)I

InChI

InChI=1S/C17H21I3N2O4/c1-3-5-7-9(23)21-15-12(18)11(17(25)26)13(19)16(14(15)20)22-10(24)8-6-4-2/h3-8H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)