2-(butanoylamino)-3,5-bis(iodanyl)benzoic acid

Systemtic Name: 2-(butanoylamino)-3,5-bis(iodanyl)benzoic acid Openeye Name: 2-(butanoylamino)-3,5-diiodo-benzoic acid CAS Name: 3,5-diiodo-2-(1-oxobutylamino)benzoic acid IUPAC Name: 2-(butanoylamino)-3,5-diiodobenzoic acid Traditional Name: 2-butyramido-3,5-diiodo-benzoic acid Formula: C11H11I2NO3 MolecularWeight: 459.01888

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C=C(C=C1C(=O)O)I)I

Isomeric SMILES

CCCC(=O)NC1=C(C=C(C=C1C(=O)O)I)I

InChI

InChI=1S/C11H11I2NO3/c1-2-3-9(15)14-10-7(11(16)17)4-6(12)5-8(10)13/h4-5H,2-3H2,1H3,(H,14,15)(H,16,17)