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

Systemtic Name: 5-[(5-fluoranyl-4-methyl-2-nitro-phenyl)amino]-2-methyl-benzenesulfonic acid Openeye Name: 5-(5-fluoro-4-methyl-2-nitro-anilino)-2-methyl-benzenesulfonic acid CAS Name: 5-(5-fluoro-4-methyl-2-nitroanilino)-2-methylbenzenesulfonic acid IUPAC Name: 5-(5-fluoro-4-methyl-2-nitroanilino)-2-methylbenzenesulfonic acid Traditional Name: 5-(5-fluoro-4-methyl-2-nitro-anilino)-2-methyl-besylic acid Formula: C14H13FN2O5S MolecularWeight: 340.326823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13FN2O5S/c1-8-3-4-10(6-14(8)23(20,21)22)16-12-7-11(15)9(2)5-13(12)17(18)19/h3-7,16H,1-2H3,(H,20,21,22)