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

Systemtic Name: 3,4-bis(fluoranyl)-2-[(4-iodanyl-2-methyl-phenyl)amino]benzenesulfonic acid Openeye Name: 3,4-difluoro-2-(4-iodo-2-methyl-anilino)benzenesulfonic acid CAS Name: 3,4-difluoro-2-(4-iodo-2-methylanilino)benzenesulfonic acid IUPAC Name: 3,4-difluoro-2-(4-iodo-2-methylanilino)benzenesulfonic acid Traditional Name: 3,4-difluoro-2-(4-iodo-2-methyl-anilino)besylic acid Formula: C13H10F2INO3S MolecularWeight: 425.189676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10F2INO3S/c1-7-6-8(16)2-4-10(7)17-13-11(21(18,19)20)5-3-9(14)12(13)15/h2-6,17H,1H3,(H,18,19,20)