5-iodanyl-2-[[3,3,3-tris(fluoranyl)-2-methyl-2-oxidanyl-propanoyl]amino]benzoic acid

Systemtic Name: 5-iodanyl-2-[[3,3,3-tris(fluoranyl)-2-methyl-2-oxidanyl-propanoyl]amino]benzoic acid Openeye Name: 5-iodo-2-[(3,3,3-trifluoro-2-hydroxy-2-methyl-propanoyl)amino]benzoic acid CAS Name: 5-iodo-2-[(3,3,3-trifluoro-2-hydroxy-2-methyl-1-oxopropyl)amino]benzoic acid IUPAC Name: 5-iodo-2-[(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)amino]benzoic acid Traditional Name: 5-iodo-2-[(3,3,3-trifluoro-2-hydroxy-2-methyl-propanoyl)amino]benzoic acid Formula: C11H9F3INO4 MolecularWeight: 403.09314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)I)C(=O)O)(C(F)(F)F)O

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)I)C(=O)O)(C(F)(F)F)O

InChI

InChI=1S/C11H9F3INO4/c1-10(20,11(12,13)14)9(19)16-7-3-2-5(15)4-6(7)8(17)18/h2-4,20H,1H3,(H,16,19)(H,17,18)