3-[3-(butanoylamino)-2,4,6-tris(iodanyl)phenyl]pentanoic acid

Systemtic Name: 3-[3-(butanoylamino)-2,4,6-tris(iodanyl)phenyl]pentanoic acid Openeye Name: 3-[3-(butanoylamino)-2,4,6-triiodo-phenyl]pentanoic acid CAS Name: 3-[2,4,6-triiodo-3-(1-oxobutylamino)phenyl]pentanoic acid IUPAC Name: 3-[3-(butanoylamino)-2,4,6-triiodophenyl]pentanoic acid Traditional Name: 3-(3-butyramido-2,4,6-triiodo-phenyl)valeric acid Formula: C15H18I3NO3 MolecularWeight: 641.02173

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C=C(C(=C1I)C(CC)CC(=O)O)I)I

Isomeric SMILES

CCCC(=O)NC1=C(C=C(C(=C1I)C(CC)CC(=O)O)I)I

InChI

InChI=1S/C15H18I3NO3/c1-3-5-11(20)19-15-10(17)7-9(16)13(14(15)18)8(4-2)6-12(21)22/h7-8H,3-6H2,1-2H3,(H,19,20)(H,21,22)