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

Systemtic Name: 4-fluoranyl-2-[(4-iodanyl-2-methyl-phenyl)amino]benzenesulfonic acid Openeye Name: 4-fluoro-2-(4-iodo-2-methyl-anilino)benzenesulfonic acid CAS Name: 4-fluoro-2-(4-iodo-2-methylanilino)benzenesulfonic acid IUPAC Name: 4-fluoro-2-(4-iodo-2-methylanilino)benzenesulfonic acid Traditional Name: 4-fluoro-2-(4-iodo-2-methyl-anilino)besylic acid Formula: C13H11FINO3S MolecularWeight: 407.199213

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC2=C(C=CC(=C2)F)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC2=C(C=CC(=C2)F)S(=O)(=O)O

InChI

InChI=1S/C13H11FINO3S/c1-8-6-10(15)3-4-11(8)16-12-7-9(14)2-5-13(12)20(17,18)19/h2-7,16H,1H3,(H,17,18,19)