3,4,5-tris(fluoranyl)-2-[(4-iodanyl-2-methyl-phenyl)amino]benzoic acid

Systemtic Name: 3,4,5-tris(fluoranyl)-2-[(4-iodanyl-2-methyl-phenyl)amino]benzoic acid Openeye Name: 3,4,5-trifluoro-2-(4-iodo-2-methyl-anilino)benzoic acid CAS Name: 3,4,5-trifluoro-2-(4-iodo-2-methylanilino)benzoic acid IUPAC Name: 3,4,5-trifluoro-2-(4-iodo-2-methylanilino)benzoic acid Traditional Name: 3,4,5-trifluoro-2-(4-iodo-2-methyl-anilino)benzoic acid Formula: C14H9F3INO2 MolecularWeight: 407.12644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC2=C(C(=C(C=C2C(=O)O)F)F)F

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC2=C(C(=C(C=C2C(=O)O)F)F)F

InChI

InChI=1S/C14H9F3INO2/c1-6-4-7(18)2-3-10(6)19-13-8(14(20)21)5-9(15)11(16)12(13)17/h2-5,19H,1H3,(H,20,21)