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

Systemtic Name: 2-[[3-(butanoylamino)-2,4,6-tris(iodanyl)phenyl]methyl]hexanedioic acid Openeye Name: 2-[[3-(butanoylamino)-2,4,6-triiodo-phenyl]methyl]hexanedioic acid CAS Name: 2-[[2,4,6-triiodo-3-(1-oxobutylamino)phenyl]methyl]hexanedioic acid IUPAC Name: 2-[[3-(butanoylamino)-2,4,6-triiodophenyl]methyl]hexanedioic acid Traditional Name: 2-(3-butyramido-2,4,6-triiodo-benzyl)adipic acid Formula: C17H20I3NO5 MolecularWeight: 699.05781

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20I3NO5/c1-2-4-13(22)21-16-12(19)8-11(18)10(15(16)20)7-9(17(25)26)5-3-6-14(23)24/h8-9H,2-7H2,1H3,(H,21,22)(H,23,24)(H,25,26)