2-[(5-fluoranyl-4-methyl-2-nitro-phenyl)amino]-5-methyl-benzene-1,4-disulfonic acid

Systemtic Name: 2-[(5-fluoranyl-4-methyl-2-nitro-phenyl)amino]-5-methyl-benzene-1,4-disulfonic acid Openeye Name: 2-(5-fluoro-4-methyl-2-nitro-anilino)-5-methyl-benzene-1,4-disulfonic acid CAS Name: 2-(5-fluoro-4-methyl-2-nitroanilino)-5-methylbenzene-1,4-disulfonic acid IUPAC Name: 2-(5-fluoro-4-methyl-2-nitroanilino)-5-methylbenzene-1,4-disulfonic acid Traditional Name: 2-(5-fluoro-4-methyl-2-nitro-anilino)-5-methyl-benzene-1,4-disulfonic acid Formula: C14H13FN2O8S2 MolecularWeight: 420.390023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1F)NC2=C(C=C(C(=C2)S(=O)(=O)O)C)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1F)NC2=C(C=C(C(=C2)S(=O)(=O)O)C)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H13FN2O8S2/c1-7-3-12(17(18)19)10(5-9(7)15)16-11-6-13(26(20,21)22)8(2)4-14(11)27(23,24)25/h3-6,16H,1-2H3,(H,20,21,22)(H,23,24,25)