4-(2,6-dimethyl-4-nitro-phenoxy)-2-(4-fluorophenyl)sulfonyl-phenol

Systemtic Name: 4-(2,6-dimethyl-4-nitro-phenoxy)-2-(4-fluorophenyl)sulfonyl-phenol Openeye Name: 4-(2,6-dimethyl-4-nitro-phenoxy)-2-(4-fluorophenyl)sulfonyl-phenol CAS Name: 4-(2,6-dimethyl-4-nitrophenoxy)-2-(4-fluorophenyl)sulfonylphenol IUPAC Name: 4-(2,6-dimethyl-4-nitrophenoxy)-2-(4-fluorophenyl)sulfonylphenol Traditional Name: 4-(2,6-dimethyl-4-nitro-phenoxy)-2-(4-fluorophenyl)sulfonyl-phenol Formula: C20H16FNO6S MolecularWeight: 417.407543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)C3=CC=C(C=C3)F)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)S(=O)(=O)C3=CC=C(C=C3)F)C)[N+](=O)[O-]

InChI

InChI=1S/C20H16FNO6S/c1-12-9-15(22(24)25)10-13(2)20(12)28-16-5-8-18(23)19(11-16)29(26,27)17-6-3-14(21)4-7-17/h3-11,23H,1-2H3