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

Systemtic Name: 5-bromanyl-3,4-bis(fluoranyl)-2-[(4-iodanyl-2-methyl-phenyl)amino]benzenesulfonic acid Openeye Name: 5-bromo-3,4-difluoro-2-(4-iodo-2-methyl-anilino)benzenesulfonic acid CAS Name: 5-bromo-3,4-difluoro-2-(4-iodo-2-methylanilino)benzenesulfonic acid IUPAC Name: 5-bromo-3,4-difluoro-2-(4-iodo-2-methylanilino)benzenesulfonic acid Traditional Name: 5-bromo-3,4-difluoro-2-(4-iodo-2-methyl-anilino)besylic acid Formula: C13H9BrF2INO3S MolecularWeight: 504.085736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC2=C(C(=C(C=C2S(=O)(=O)O)Br)F)F

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC2=C(C(=C(C=C2S(=O)(=O)O)Br)F)F

InChI

InChI=1S/C13H9BrF2INO3S/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)