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

Systemtic Name: 3,4,5-tris(fluoranyl)-2-[(4-iodanyl-2-methyl-phenyl)amino]benzenesulfonic acid Openeye Name: 3,4,5-trifluoro-2-(4-iodo-2-methyl-anilino)benzenesulfonic acid CAS Name: 3,4,5-trifluoro-2-(4-iodo-2-methylanilino)benzenesulfonic acid IUPAC Name: 3,4,5-trifluoro-2-(4-iodo-2-methylanilino)benzenesulfonic acid Traditional Name: 3,4,5-trifluoro-2-(4-iodo-2-methyl-anilino)besylic acid Formula: C13H9F3INO3S MolecularWeight: 443.18014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC2=C(C=C(C(=C2F)F)F)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC2=C(C=C(C(=C2F)F)F)S(=O)(=O)O

InChI

InChI=1S/C13H9F3INO3S/c1-6-4-7(17)2-3-9(6)18-13-10(22(19,20)21)5-8(14)11(15)12(13)16/h2-5,18H,1H3,(H,19,20,21)