4-[(5-fluoranyl-4-methylsulfinyloxy-2-nitro-phenyl)amino]-2-methyl-benzenesulfonic acid

Systemtic Name: 4-[(5-fluoranyl-4-methylsulfinyloxy-2-nitro-phenyl)amino]-2-methyl-benzenesulfonic acid Openeye Name: 4-(5-fluoro-4-methylsulfinyloxy-2-nitro-anilino)-2-methyl-benzenesulfonic acid CAS Name: 4-(5-fluoro-4-methylsulfinyloxy-2-nitroanilino)-2-methylbenzenesulfonic acid IUPAC Name: 4-(5-fluoro-4-methylsulfinyloxy-2-nitroanilino)-2-methylbenzenesulfonic acid Traditional Name: 4-(5-fluoro-4-methylsulfinyloxy-2-nitro-anilino)-2-methyl-besylic acid Formula: C14H13FN2O7S2 MolecularWeight: 404.390623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=CC(=C(C=C2[N+](=O)[O-])OS(=O)C)F)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=CC(=C(C=C2[N+](=O)[O-])OS(=O)C)F)S(=O)(=O)O

InChI

InChI=1S/C14H13FN2O7S2/c1-8-5-9(3-4-14(8)26(21,22)23)16-11-6-10(15)13(24-25(2)20)7-12(11)17(18)19/h3-7,16H,1-2H3,(H,21,22,23)